TCMBANKIN000033 |
vincamine |
|
C21H26N2O3 |
354.44 |
CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O |
TCMBANKIN000113 |
vinblastine |
vinblastine |
C46H58N4O9 |
810.97 |
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
TCMBANKIN000149 |
persicarin |
|
C16H12O10S |
396.3 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O |
TCMBANKIN000826 |
4- 乙基- 芍药苷 |
|
|
|
|
TCMBANKIN001484 |
leurosivine |
|
|
0 |
|
TCMBANKIN002164 |
Morning glory pigment |
|
|
|
|
TCMBANKIN002568 |
coronarin a |
|
C20H28O2 |
300.4 g/mol |
CC1(CCCC2(C1CC(C(=C)C2C=CC3=COC=C3)O)C)C |
TCMBANKIN003512 |
leurocristine |
leurocris-tine |
C46H58N4O14S |
923 g/mol |
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O |
TCMBANKIN003608 |
serpentine |
|
C21H21N2O3+ |
349.4 g/mol |
CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4 |
TCMBANKIN004618 |
pericyclivine |
|
C20H22N2O2 |
322.4 g/mol |
CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)C(=O)OC |
TCMBANKIN004809 |
alstonine |
|
C21H21ClN2O3 |
0 |
CC1C2CN3C=CC4=C5C=CC=CC5=NC4=C3CC2C(=CO1)C(=O)OC.Cl |
TCMBANKIN005958 |
mthyljasmonate |
|
C14H22O3 |
|
CCC=CCC1(C(CCC1=O)CC(=O)OC)C |
TCMBANKIN006444 |
pleniradin |
|
C15H20O4 |
264.32 g/mol |
CC1=CC2C(CC3C1C(CC3(C)O)O)C(=C)C(=O)O2 |
TCMBANKIN006726 |
taccalonolide e |
|
C34H44O12 |
644.7 g/mol |
CC1C=C2C(C3C1C4(C(CC5C(C4C3OC(=O)C)C(C(=O)C6C5(C(C7C(C6)O7)OC(=O)C)C)O)OC(=O)C)C)(C(C(=O)O2)(C)O)C |
TCMBANKIN007579 |
moellendorffiline |
|
C26H20O10 |
492.4 g/mol |
COC1=C(C2=C(C=CO2)C3=C1C4C5C(C4C(=O)O3)C(=O)OC6=C5C(=C(C7=C6C=CO7)OC)OC)OC |
TCMBANKIN008765 |
lochneridine |
|
C20H24N2O3 |
340.4 g/mol |
CCC1(CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O |
TCMBANKIN008852 |
isoleurosine |
|
C46H58N4O8 |
795 g/mol |
CCC1CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC |
TCMBANKIN008914 |
catharanthusopimaranoside A |
|
|
|
|
TCMBANKIN009317 |
vindolin |
|
C25H32N2O6 |
456.5 g/mol |
CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C |
TCMBANKIN009362 |
Coronaridine |
coronaridine; coronaridine |
C21H26N2O2 |
338.44 |
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
TCMBANKIN009689 |
gomaline |
|
C30H42N4O2 |
490.7 g/mol |
CN1CCCN(C(=O)CC1C2=CC=CC=C2)CCCCN3CCCN(C(CC3=O)C4=CC=CC=C4)C |
TCMBANKIN010423 |
vinamidine |
|
C46H56N4O10 |
825 g/mol |
CCC(=O)CC1CC(C2=C(CCN(C1)C=O)C3=CC=CC=C3N2)(C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC |
TCMBANKIN010456 |
dihydrovindolinine |
|
C21H26N2O2 |
338.4 g/mol |
CC1C23CCCN4C2C5(C1(C(C3)C(=O)OC)NC6=CC=CC=C65)CC4 |
TCMBANKIN011789 |
16-Ep-i19-S-vindolinine-N-oxide |
|
C21H24N2O3 |
352.4 g/mol |
CC1C23CC(C14C5(C2[N+](CC5)(CC=C3)[O-])C6=CC=CC=C6N4)C(=O)OC |
TCMBANKIN012091 |
alpha-amyrin acetate |
α-amyrin acetate; alpha-Amyrin acetate |
C32H52O2 |
468.75 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C |
TCMBANKIN012212 |
dihydrositsirikine |
|
C21H28N2O3 |
|
CCC1CN2CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34 |
TCMBANKIN012461 |
gomezine |
|
C18H20N2 |
264.4 g/mol |
CC=C1CN2CCC1C(=C)C3=C(C2)C4=CC=CC=C4N3 |
TCMBANKIN012636 |
tetrahydroalstonine |
Tetrahydroalstonine; C11682; 6474-90-4; Alstonine, 3,4,5,6-tetrahydro- (8CI); 4-27-00-07926 (Beilstein Handbook Reference); NCGC00163632-01; Prestwick1_000593; PDSP2_001642; Prestwick2_000593; SPBio_002685; NSC 72115; Alstonine, 3,4,5,6-tetrahydro; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester; 4CN-0678; SCHEMBL14095094; BRN 0097270; EINECS 229-331-0; METHYL (15S,16S,20S)-16-METHYL-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,18-PENTAENE-19-CARBOXYLATE; MFCD00083501; Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate; Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-; AIDS-003047; Prestwick_462; CHEBI:95146; HMS1569H08; Prestwick0_000593; AKOS032948288; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-; AIDS003047 |
C21H25N2O3+ |
353.4 g/mol |
CC1C2C[NH+]3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
TCMBANKIN012968 |
2α-acetoxy-2'β-deacetyl-1-hydroxyaustrospi-catine |
|
C41H55NO14 |
|
|
TCMBANKIN013477 |
Perlatolic acid |
2-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylphenyl)-oxomethoxy]-6-pentylbenzoic acid; NCI60_015815; 529-47-5; 2-Hydroxy-4-((2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy)-6-pentylbenzoic acid; perlatolicacid; 2-amyl-4-(2-amyl-6-hydroxy-4-methoxy-benzoyl)oxy-6-hydroxy-benzoic acid; 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-phenyl)carbonyloxy-6-pentyl-benzoic acid; Perlatolinic acid; beta-Resorcylic acid, 6-pentyl-, 4-(2-hydroxy-6-pentyl-p-anisate); perlatolic acid; AIDS138684; NSC646002; AIDS-138684; 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-benzoyl)oxy-6-pentyl-benzoic acid; 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid |
C25H32O7 |
444.52 |
CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC |
TCMBANKIN013551 |
Rosin prime 3-O- [6-O-(α- rhamnose-yl)[beta]-galactosidase] |
|
|
|
|
TCMBANKIN013775 |
lochnerinine |
|
C22H26N2O4 |
382.5 g/mol |
CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=C(N3)C=C(C=C6)OC)C(=O)OC |
TCMBANKIN014325 |
vincoline |
|
C21H24N2O4 |
368.4 g/mol |
CC1C23CC(O1)(C4(C5(C2N(CC5)CC=C3)C6=CC=CC=C6N4)O)C(=O)OC |
TCMBANKIN014361 |
desactoxy VLB |
|
|
|
|
TCMBANKIN015646 |
n-hentetracont-36-en-5β-ol |
|
|
|
|
TCMBANKIN016009 |
leurosidine vrs |
|
|
0 |
|
TCMBANKIN016103 |
catharanthine |
catharan-thine |
C21H24N2O2 |
336.4 g/mol |
CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
TCMBANKIN016658 |
lochnericine |
Lochnericine; Aspidospermidine-3-carboxylic acid, 2,3-didehydro-6,7-epoxy-, methyl ester, (5alpha,6alpha,7alpha,12R,19alpha)-; SCHEMBL6535297; (5alpha,6alpha,7alpha,12beta,19alpha)-2,3-Didehydro-6,7-epoxyaspidospermidine-3-carboxylic acid methyl ester; Lochnericine, (-)-; CHEMBL2011514; (-)-Lochnericine; Lochnericine [MI]; UNII-WY97J4B4AM; 72058-36-7; WY97J4B4AM |
C21H24N2O3 |
352.4 g/mol |
CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC |
TCMBANKIN016883 |
leurosine vlr |
|
|
0 |
|
TCMBANKIN016971 |
3,4-mimethoxytoluene |
|
|
|
|
TCMBANKIN017543 |
leurocolombine |
|
|
0 |
|
TCMBANKIN017808 |
serpentinine |
|
C33H40N2O9 |
608.68 |
CC=C1CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39 |
TCMBANKIN018001 |
dehydrologanin |
METHYL 7-METHYL-6-OXO-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-1H,4AH,5H,7H,7AH-CYCLOPENTA[C]PYRAN-4-CARBOXYLATE |
C17H24O10 |
388.4 g/mol |
CC1C2C(CC1=O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC |
TCMBANKIN018290 |
mitraphylline |
|
C21H24N2O4 |
368.4 g/mol |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
TCMBANKIN020081 |
methylvingramine |
|
C47H58N4O8 |
807 g/mol |
CC=C1CN2CCC34C2(CCC1C3C(=O)OC)N(C5=C(C(=C(C=C45)OC)C6=C(C=C7C(=C6)C8=C(N7C)C9C1C(C8C(=O)OC)C(CN9C(=O)C(C)C)C(O1)C)OC)C)C |
TCMBANKIN020926 |
n-pentadecanyl octa一dec一19-en-oate |
|
|
|
|
TCMBANKIN020974 |
7-O-Methyl anthocyanin3-O- [6-O-(α- rhamnose-yl)[beta]-galactosidase] |
|
|
|
|
TCMBANKIN021625 |
Primula pigment |
|
|
|
|
TCMBANKIN021812 |
Dihydrosolidagenone |
(4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydronaphthalen-1-one; AC1NSULK; dihydrosolidagenone |
C20H30O3 |
318.4 g/mol |
CC1CC(=O)C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C |
TCMBANKIN023308 |
vingramine |
|
C46H56N4O8 |
793 g/mol |
CC=C1CN2CCC34C2(CCC1C3C(=O)OC)NC5=C(C(=C(C=C45)OC)C6=C(C=C7C(=C6)C8=C(N7C)C9C1C(C8C(=O)OC)C(CN9C(=O)C(C)C)C(O1)C)OC)C |
TCMBANKIN023358 |
desacetylvindoline |
desacetyl-vindoline |
C23H30N2O5 |
414.5 g/mol |
CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C |
TCMBANKIN023655 |
delphatine |
|
C26H43NO7 |
481.6 g/mol |
CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC |
TCMBANKIN024098 |
3-0-Caffeoylquinic acid |
|
|
|
|
TCMBANKIN025841 |
catharine |
|
C46H54N4O10 |
822.9 g/mol |
CCC1=CN(CCC2=C(C(CC(=O)C1)(C3=C(C=C4C(=C3)C56CCN7C5C(C=CC7)(C(C(C6N4C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC8=CC=CC=C28)C=O |
TCMBANKIN026607 |
sitsirikine |
methyl 2-(3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-hydroxypropanoate; AC1NT0G0 |
C21H26N2O3 |
354.4 g/mol |
COC(=O)C(CO)C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3 |
TCMBANKIN027330 |
rosmaricine |
|
C20H27NO4 |
345.4 g/mol |
CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)N)O)O |
TCMBANKIN027621 |
leurosine |
|
C46H56N4O9 |
809 g/mol |
CCC12CN3CCC4=C(C(CC(C3)C1O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41 |
TCMBANKIN027842 |
vincristine |
AC-20336; 57-22-7; AKOS015965501 |
C46H56N4O10 |
825 g/mol |
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
TCMBANKIN028164 |
akuammicine |
UNII-RG055O00BG; Curan-17-oic acid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-; Methyl (19E)-2,16,19,20-tetradehydrocuran-17-oate; 639-43-0; Akuammicine; RG055O00BG; CHEBI:70499 |
C20H23N2O2+ |
323.4 g/mol |
CC=C1C[NH+]2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC |
TCMBANKIN028180 |
reserpine |
|
C33H40N2O9 |
608.7 g/mol |
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
TCMBANKIN028254 |
vincorodine |
|
|
|
|
TCMBANKIN029508 |
tabersonine |
|
C21H25N2O2+ |
337.4 g/mol |
CCC12CC(=C3C4(C1[NH+](CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC |
TCMBANKIN029925 |
lochnerine |
|
C20H24N2O2 |
324.4 g/mol |
CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)OC)CO |
TCMBANKIN030877 |
perivine |
|
C20H22N2O3 |
338.4 g/mol |
CC=C1CNC2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34 |
TCMBANKIN031437 |
Quercetin-3-O-(2,6- two-O-α-L- rhamnose group-β-D- galactoside) |
|
|
|
|
TCMBANKIN031577 |
desacetyl VLB |
|
C44H58N4O12S |
|
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O |
TCMBANKIN031873 |
catharosine |
|
C22H28N2O4 |
384.5 g/mol |
CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=CC=CC=C45)C |
TCMBANKIN032231 |
vincathicine |
|
C46H56N4O9 |
809 g/mol |
CCC1(CN2CCC34C1C(C2)CC(C3=NC5=CC=CC=C45)(C6=C(C=C7C(=C6)C89CCN1C8C(C=CC1)(C(C(C9N7C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
TCMBANKIN032329 |
securinine |
securinine |
C13H15NO2 |
217.26 |
C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4 |
TCMBANKIN032541 |
catharanthusopimaranoside B |
|
|
|
|
TCMBANKIN032709 |
5一O一deca一2E,4E,6E-trienoyl一3,20一O一diacetylingenol |
|
|
|
|
TCMBANKIN032791 |
Kaempferol-3-O-(2,6- two-O-α-L- rhamnose group-β-D- galactosidase) |
|
|
|
|
TCMBANKIN033003 |
N-demethyl VLB |
|
|
|
|
TCMBANKIN033235 |
Inositol-b |
inositol-b |
C6H12O6 |
180.16 |
|
TCMBANKIN033804 |
cleavamine |
cleav-amine |
C19H24N2 |
280.4 g/mol |
CCC1=CC2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3 |
TCMBANKIN033958 |
rovidine |
|
|
0 |
|
TCMBANKIN034431 |
vindorosine |
|
C24H30N2O5 |
426.5 g/mol |
CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC=CC=C45)C |
TCMBANKIN035410 |
3一epi一betulinic acid |
|
|
|
|
TCMBANKIN036149 |
Catharanthamine |
catharanthamine |
C46H56N4O9 |
808.96 |
CCC12CC3CN(C1)CCC4=C(C(C3O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41 |
TCMBANKIN036224 |
anhydro VLB |
|
|
|
|
TCMBANKIN036264 |
vincadioline |
|
C46H58N4O10 |
0 |
CCC1(CN2CCC3=C(C(CC(C2)C1O)(C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC9=CC=CC=C39)O |
TCMBANKIN036299 |
6,14-dimethoxyforesticine |
|
C26H43NO6 |
|
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)OC)OC)COC |
TCMBANKIN036524 |
perilal |
AOVAKEPXEOVCEW-MGCOHNPYSA-N; AKOS030613877; AK658376; FEMA No. 4312, Z-; Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-; 1,2-Dihydroperillaldehyde; 1,2-Dihydroperillaldehyde, (E)-; VPH010VHP3; 1,2-Dihydroperillaldehyde, (E)-, and (Z)-; UNII-0RY0P8YIKM; ACMC-20mwy6; 0RY0P8YIKM; UNII-HW6871CJ1V; AK658377; 4-Isopropenyl-cyclohexanecarboxaldehyde; CTK0I8509; SCHEMBL4275139; AOVAKEPXEOVCEW-UHFFFAOYSA-N; (1alpha,4alpha)-p-Mentha-8-ene-7-al; 22451-50-9; AOVAKEPXEOVCEW-AOOOYVTPSA-N; FEMA No. 4312, E-; 4-(Prop-1-en-2-yl)cyclohexanecarbaldehyde; Cyclohexanecarboxaldehyde, 4-isopropenyl-, cis-; trans-1,2-Dihydroperillaldehyde; (1alpha,4beta)-p-Mentha-8-ene-7-al; 137886-38-5; UNII-VPH010VHP3; 1,2-Dihydroperillaldehyde, (Z)-; 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde; Cyclohexanecarboxaldehyde, 4-isopropenyl-, trans-; trans-Dihydroperillaldehyde; HW6871CJ1V; CTK0F3390; cis-Dihydroperillaldehyde; FEMA No. 4312; Trans-4-(prop-1-en-2-yl)cyclohexanecarbaldehyde; UNII-HW6871CJ1V component AOVAKEPXEOVCEW-MGCOHNPYSA-N; AC1LB1NM; (+/-)-cis- and trans-1,2-Dihydroperillaldehyde [FIFH]; 4-(PROP-1-EN-2-YL)CYCLOHEXANE-1-CARBALDEHYDE; AKOS030613878; UNII-HW6871CJ1V component AOVAKEPXEOVCEW-AOOOYVTPSA-N; 22451-49-6; Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-, trans-; SCHEMBL14495583; (+/-)-cis- and trans-1,2-Dihydroperillaldehyde; cis-1,2-Dihydroperillaldehyde; Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-, cis- |
C10H16O |
152.23 g/mol |
CC(=C)C1CCC(CC1)C=O |
TCMBANKIN037952 |
Isosophaocarpine |
|
C15H22N2O |
246.348 |
C1([H])=C([H])C([H])([H])[C@@]([H])([C@]2([H])[C@]([H])(N(C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@]3([H])C4([H])[H])N4C1=O |
TCMBANKIN038012 |
vineridine |
|
C22H26N2O5 |
398.5 g/mol |
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O |
TCMBANKIN038017 |
Pseudovincaleukoblastine diol |
|
|
|
|
TCMBANKIN038813 |
Leurocolumbine |
|
|
|
|
TCMBANKIN039495 |
vindolinine-n-oxide |
vindolininen-oxide |
C21H25N2O3 |
|
|
TCMBANKIN039926 |
Pleiocarpamine |
|
|
322.4 g/mol |
|
TCMBANKIN040785 |
Vindoline |
|
|
456.5 g/mol |
|
TCMBANKIN040955 |
4-deacetyl-11(15→1)-abeo-baccatin vi |
|
C35H44O13 |
|
|
TCMBANKIN041262 |
isoimperatorin |
AJ-19023; Oprea1_655950; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-; NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; Isoimperatorin, analytical standard; 4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one; MCULE-5468436292; Iso-imperatorin; UNII-0ZMV066080; BDBM50242377; ZB010260; BG00617053; BRD-K40367461-001-01-0; ZINC00296185; ACN-035226; HMS2268M21; CS-5801; ACon1_000176; MLS001048978; MLS000574919; API0003033; Q-100533; Oprea1_630212; 4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; Iso Imperatorin; isoimperatorin ; 4-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; AN-8401; CTK4J0732; I06-0434; C16976; 7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; AB0019796; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; AIDS-071126; SCHEMBL15090959; IGWDEVSBEKYORK-UHFFFAOYSA-N; TR-031434; 482I451; NCGC00180809-01; 482-45-1; DTXSID60197460; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-; 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK-23906; Isoimperatorin; AC1Q6AY9; KS-00000NN4; MFCD00272155; 0ZMV066080; AC-8047; AX8008744; SMR000156243; CHEMBL448060; HY-N0286; CHEBI:66071; KB-294187; FT-0656369; 10-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; STOCK1N-27740; ZINC296185; N1746; ST24047429; 4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; MolPort-001-740-269; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; CI0035; V0302; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]-; AIDS071126; 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; AKOS015895143; 4-(3-Methyl-but-2-enyloxy-furo[3,2-g]chromen-7-one; MEGxp0_000090; AC1L28ZP |
C17H16O3 |
268.307 |
c12c(c([H])c([H])o1)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(OC(=C([H])[H])C([H])=C3[H])c2O[H] |
TCMBANKIN042568 |
Vincoside lactam |
|
|
498.5 g/mol |
|
TCMBANKIN042628 |
loganin |
SDCCGMLS-0066747.P001; KBio2_001983; Spectrum_001503; BSPBio_003350; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; KBio2_004551; KBio1_001603; Loganin; C01433; KBioSS_001983; KBio2_007119; Spectrum2_001637; KBio3_002852; methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; SPBio_001733; Spectrum4_001914; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; Methyl (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylate; DivK1c_006659; Spectrum5_000628; CHEBI:15771; SpecPlus_000563; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; 18524-94-2; EINECS 242-398-0; MEGxp0_000723; SPECTRUM1504066; ACon1_001749; Spectrum3_001875; ZINC03978792; 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester; KBioGR_002535; LMPR01020102 |
C18H28O10 |
404 |
[C@]12([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H])[C@]([H])(O[C@]([H])(O[C@@]3(C([H])([H])O[H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=C2C(OC([H])
([H])[H])=O |
TCMBANKIN042739 |
deacetoxyvinblastine |
|
C43H54N4O7 |
|
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(CC(C8N6)(C(=O)OC)O)(C=CC9)CC)OC)C(=O)OC)O |
TCMBANKIN044898 |
fluorocarpamine |
|
C20H23N2O3+ |
339.4 g/mol |
CC=C1C[NH+]2CCC34C2CC1C(N3C5=CC=CC=C5C4=O)C(=O)OC |
TCMBANKIN045375 |
isositsirikine |
|
C21H26N2O3 |
354.4 g/mol |
CC=C1CN2CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34 |
TCMBANKIN045490 |
fluorocarpamine-n-oxide |
|
C20H22N2O4 |
354.4 g/mol |
CC=C1C[N+]2(CCC34C2CC1C(N3C5=CC=CC=C5C4=O)C(=O)OC)[O-] |
TCMBANKIN046638 |
loganoside |
SMR000470832; HMS2267G06; SR-01000760596-2; SR-01000760596; AC1L74CC; L0268; NSC606403; Loganoside; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; CHEMBL2135791; NSC-606403; MLS000728659 |
C17H26O10 |
390.4 g/mol |
CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
TCMBANKIN049173 |
catheduline e2 |
|
C38H40N2O11 |
700.7 g/mol |
CC1CC(C(C2(C13CC(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)COC(=O)C6=CN=CC=C6)OC(=O)C)OC(=O)C |
TCMBANKIN058035 |
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS-(4aalpha,5beta,6alpha))-;sweroside |
(4aS,5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon1_000233; (4aS,5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; 14215-86-2; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon0_001457; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; MEGxp0_000813 |
C16H22O9 |
358.34 |
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O |
TCMBANKIN058057 |
D-Chiro-Inositol |
Chiro-inositol;mesoinositol; Myo-inositol; i-inositol; Inositol-c; scyllo-insitol; Inositol;KS-00001292; TR-022051; BG01505581; MFCD01321249; CTK1C5947; AKOS024318869; INOSITOL (D); Inositene; CHEBI:27374; D-(+)-chiro-Inositol; LT03328768; I-6500; 2H3; (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol; D07CPO; W-203081; NCGC00178580-01; ZINC103574430; Myoinositol; ZINC100019018; NSC-103959; SCHEMBL13114116; UNII-1VS4X81277; 12513-EP2292610A1; AKOS015912934; NSC25142; Inosite; (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; BG00909558; 1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #; BG01505582; NSC-127230; AK307531; Inositol, cis-; NSC 8101; 643-12-9; CHEBI:23311; MolPort-001-785-905; NSC-404118; KB-296111; 12513-EP2316831A1; K572; MolPort-003-719-862; Inositol, chiro-; Inositol (VAN8C; Isoinositol; I14-47230; GTPL4645; s4530; EINECS 211-394-0; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; CHEBI:22357; AK324051; Inositol [USAN:NF]; bmse000922; CDAISMWEOUEBRE-OQYPVSDDSA-N; DSSTox_RID_76890; NCGC00255362-01; 1VS4X81277; 1D-Chiro-inositol; chiro-inositol; BG01505565; 488-55-1; BG01505566; AKOS015960429; NSC103959; 576-63-6; SBI-0051369.P003; 1,2,4,5/3,6-cyclohexanehexol; I14-2742; 12513-EP2277880A1; AKOS015960633; J101.891D; A834712; Scyllitol; CHEBI:23927; KM0846; 1,2,3,4,5,6-Hexahydroxycyclohexane; Spectrum3_001053; HMS2091N13; MLS001332378; MolPort-001-742-552; NCIOpen2_008191; Cocositol; Phaseomannitol; Scyllite; myo-Inositol, 98% 100g; BSPBio_002606; KBio2_002075; FT-0693614; Inositol, United States Pharmacopeia (USP) Reference Standard; TR-017741; CCRIS 6745; STL453612; ZINC253837650; I0631; D03SHD; SCHEMBL6791918; 3635-EP2292088A1; AB00051982_13; CHEBI:17268; TR-022053; Iso-inositol; MFCD00077932; CTK8B3795; myo-Inositol, >=99%; GTPL4495; C19891; KSC225S4P; ZINC100073149; DSSTox_GSID_23146; MLS001335965; TL8004551; SMR000857319; bmse000102; AJ-26654; 887751-76-0; DB03106; UNII-9O6Y5O4P9W; 38876-99-2; myo-Inositol, BioUltra, >=99.5% (HPLC); Inositol, neo-; Matezodambose; 6R79WV4R10; I0040; Mesol; W-203392; NSC404118; 1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol; Rat antispectacled eye factor; Inositol FCC; 3635-EP2305682A1; 1,2,3,5/4,6-Cyclohexanehexol; BG01505593; cis-Inositol, >=98.0% (TLC); Tox21_302035; CDAISMWEOUEBRE-LOLGQZEGSA-N; 643-10-7; AKOS027327401; 1,2,4/3,5,6-Hexahydroxycyclohexane; 3635-EP2295417A1; CHEMBL278373; FT-0652045; 3635-EP2305677A1; 1,2,3,4,5,6-Cyclohexanehexol; Neo-inositol; (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Q-201583; Hexahydroxycyclohexane; SCHEMBL187278; (1S,2S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; CHEMBL1231671; EINECS 207-682-0; I14-47232; 1D-myo-Inositol; CHEMBL468154; SCHEMBL13058696; SC-18136; 3635-EP2280282A1; DB13178; 3635-EP2289886A1; Spectrum_001595; Inositol, Pharmaceutical Secondary Standard; Certified Reference Material; NSC-757076; AKOS006240678; I14-60538; 12513-EP2374790A1; CJ-23964; AK102790; UNII-63GQX5QW03; INS; 87-89-8; Scyllite (for the structural isomer scyllo-Inositol); 2os9; CHEMBL1222251; I14-47231; MLS001335966; (1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol; alloinositol; ANW-43204; 4irx; KS-1420; Inositol (VAN); inositols; 4L6452S749; C06153; (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inosital; ZINC100037751; AB0014290; MEGxp0_001817; (1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inositol, myo-; ELND 005; 13719-EP2311831A1; cyclohexane-1,2,3,4,5,6-hexol; FT-0627237; AKOS015912905; KS-0000146H; (+)-Chiro-Inositol; AC1L1A9E; L-(-)-chiro-Inositol, 95%; (1R,2R,3R,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture; 3635-EP2305636A1; C06151; 12513-EP2292597A1; myo-Inositol, purum, >=98.0% (HPLC); Inositol, scyllo-; MFCD00799555; 12513-EP2298768A1; NSC-25142; 1,2,3/4,5,6-cyclohexanehexol; MFCD00799556; cis-1,2,4-trans-3,5,6-Cyclohexanehexol; ST24024704; Inositol, myo- (8CI); SCHEMBL13114115; GTPL4649; Bios I; M01914; ST50406013; NSC127230; FT-0632209; ZINC250615063; AC1Q2AJJ; SR-05000001655; Mesoinosite; Muscle sugar; ZINC102201844; 6917-35-7; myo-Inositol, European Pharmacopoeia (EP) Reference Standard; 3635-EP2308879A1; Insitolum; D-myo-Inositol, Cell Culture Grade; I0630; Spectrum4_001193; epi-Cyclohexanehexol; SCHEMBL187796; NSC-45517; CDAISMWEOUEBRE-GPIVLXJGSA-N; 488-54-0; CC-093; 40032-EP2298312A1; ZINC1530357; 13719-EP2308875A1; CHEBI:27987; AN-24133; epi-Inositol; (1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Pharmakon1600-01500352; CDAISMWEOUEBRE-GNIYUCBRSA-N; Tox21_111642; UNII-6R79WV4R10; 13719-EP2316836A1; SMR000857145; HMS2230N03; (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol; mesoinositol; NCGC00159409-04; CHEBI:27372; CJ-05199; SCHEMBL6378921; AK115152; (1/4) inverted exclamation markIC; SCHEMBL491333; myo-Inositol, Vetec(TM) reagent grade, 99%; 3635-EP2275412A1; ELND005; NCGC00169828-01; I0632; EINECS 207-681-5; 3635-EP2295437A1; SCHEMBL14542470; MolPort-003-848-190; Muco-Inositol; D0Y4UQ; Epi-inositol, 98%; 1,2,3,4,5,6/0-cyclohexanetetrol; Mesovit; D-chiro-Inositol, >=98.0% (HPLC); TRA-0204644; 36190-90-6; NSC 25142; cis-Inositol; (1R,2R,3S,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; SCHEMBL12377889; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; i-Inositol; L-Inositol; CHEBI:10642; 12513-EP2305825A1; Chiro-inositol, (-)-; Inositol, muco-; Quercinitol; M94176HJ2F; HY-B1411; SCHEMBL12711208; SCHEMBL13580047; CDAISMWEOUEBRE-CDRYSYESSA-N; scyllo-Cyclohexanehexol; ZINC101185827; Allo-inositol; Tox21_111642_1; HMS3373E05; 1,3,5/4,6-Cyclohexanehexol; EINECS 209-000-7; KS-1284; W-203168; 13719-EP2280010A2; Phaseomannite; EPIINOSITOL; (+)-Epi-Inositol; NSC45517; Inositol (NF); 6643AB; (1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; SCHEMBL4748543; AK307315; 13719-EP2269977A2; 488-58-4; UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N; cis-1,3,5-trans-4,6-Cyclohexanehexol; SCHEMBL13114128; SCHEMBL6468882; UNII-587A93P465; scyllo-Inositol, >=98%; SMR000857320; D-chiro Inositol; AZD 103; SCHEMBL188237; SCHEMBL12411898; bmse000113; epi-Inositol, >=98.0% (HPLC); MLS001335967; 19030-27-4; AK307406; INOSITOL (L); KBio2_007211; Cyclohexane-1,2,3,4,5,6-hexaol; 41546-34-3; (1S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NSC8101; NSC-55551; 63GQX5QW03; (1R)-Cyclohexane-1r,2c,3t,4c,5t,6t-hexaol; myo -Inositol; ZINC306121118; D08DXZ; ST24049158; AX8234329; Inositol, epi-; TRA0065469; 551-72-4; 488-59-5; NSC55551; 1D7A27BF-6060-4FA9-AC46-3BD18DBA406E; 3635-EP2298312A1; Myoinosite; HMS2235M23; NSC-55552; Inositol [Nonspecific isomer]; A836375; SR-05000001655-5; myo-Inositol, SAJ special grade, >=99.0%; 13719-EP2298734A2; D-chiro-Inositol; HMS2235H05; AN-18118; (1S,2R,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; KBio3_001826; Inositol, meso-; ZINC103574467; AS-10616; CAS-87-89-8; Inositina; SCHEMBL959404; I0629; BG00909545; AmbotzGBB1246; EINECS 211-393-5; 1,3,5/2,4,6-cyclohexanehexol; EINECS 201-781-2; SCHEMBL5831; Meat sugar; neoinositol; 9O6Y5O4P9W; (-)-chiro-Inositol; 13719-EP2289891A2; AKOS015895894; 13719-EP2295437A1; (-)-Inositol; NSC55552; Cyclohexanehexol; Inosital (TN); Levoinositol; FT-0632208; BG01505583; cyclohexane-1R,2R,3S,4S,5R,6S-hexol; TL8004550; L-chiro-Inositol; Myo inositol; Spectrum5_000961; (1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol; myo-inositol; (1S,2R,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; MFCD00272608; MLS001332377; D08079; SCHEMBL12371461; meso-Inositol; D-myo-Inositol; Cyclohexitol; ZINC100018867; 1,2,3,4/5,6-cyclohexanehexol; D-(+)-chiro-Inositol, 95%; (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; ACon1_002457; KBioGR_001885; NSC-8101; TR-019452; FT-0670357; AKOS015994742; ZINC100032893; NSC757076; CS-4782; allo-Inositol, 97%; AN-23658; Mesoinosit; KS-00000QA9; AKOS027320475; KBio2_004643; ZINC103574475; UNII-4L6452S749; SCHEMBL5969; ZINC100055570; 1,3,5/2,4,6-Hexahydroxycyclohexane; KS-000017FC; 3635-EP2298775A1; bmse000901; FCH1118762; NCGC00159409-03; R1Y9F3N15A; I14-101844; myo-Inositol, for microbiology, >=99.0%; I0633; Dambose; myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production.; FT-0693444; 1-L-chiro-Inositol; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol; SR-05000001655-1; SCHEMBL188106; L-(-)-chiro-Inositol; L-myo-Inositol; 1,2,3,4,5,6-Cyclohexanehexaol; UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N; ZINC100513675; 173524-45-3; 643C129; NSC-55558; CCG-36096; Mouse antialopecia factor; FT-0632730; NSC55558; 8LQ63P85IC; I0628; MolPort-006-111-433; NCI60_041778; CDAISMWEOUEBRE-NIPYSYMMSA-N; KBioSS_002075; C00137; CBU; 220128F1-89BF-442D-AD6D-E6D1EA7BA625; UNII-R1Y9F3N15A; D0B1EY; 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; MolPort-003-933-930; 587A93P465; CHEBI:25492; NSC 404118; UNII-M94176HJ2F; MCULE-2727773046; J101.890F; HMS3369F20; SCHEMBL5832; UNII-8LQ63P85IC; 12513-EP2277881A1; UNII-4661D3JP8D; 53319-35-0; MLS001335968; 1,2,3,4,5,6-Cyclohexanehexol #; myo-Inositol, p.a., 98.0%; meso-(1/4) inverted exclamation mark (1/4); AC-11070; SCHEMBL959405; NCGC00178580-03; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; I06-1350; 1L-Chiro-inositol; SCHEMBL1055883; Nucite; LS-2350; RP24128; 1,2,3,4,5/6-cyclohexanehexol; GTPL4648; Epitope ID:144993; SCHEMBL12735687; AKOS006332036; Inositol NF 12; MFCD00003863; AK546883; 1,2,4/3,5,6-cyclohexanehexol; 13719-EP2298775A1; EINECS 230-024-9; W-202862; (1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NCGC00159409-02; 4661D3JP8D; 1L-myo-Inositol; Scyllo-inositol; C06152; Chiro-inositol, (+)-; Inositol, i-; CHEMBL1950780; 1,2,3,4,5,6-cyclohexanhexol; 1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta); D-(+)-Chiro Inositol; SC-91157; KS-00001315; NP-010162; I14-47229; VC30505; 4CH-024633; KB-251247; MFCD00065455; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; CDAISMWEOUEBRE-UHFFFAOYSA-N; ZINC100024490; Inositol, allo-; AI3-16111; Ambap6917-35-7; HMS3369B06; 7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5; 1,3,4,5,6-Cyclohexanehexol; inositol; W-202861; SCHEMBL187397; DSSTox_CID_3146; ZINC100035580; 40032-EP2311830A1; 12513-EP2298744A2; K-9876; INOSITOL, MESO; CHEBI:24848; bmse000103; TR-016439; SCHEMBL13207905; (+)-Inositol; CHEMBL122705;cocositol;D-myo-inositol |
C6H12O6 |
180.16 g/mol |
C1(C(C(C(C(C1O)O)O)O)O)O |
TCMBANKIN058450 |
ADO |
nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside |
C10H13N5O4 |
267.24 g/mol |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
TCMBANKIN058836 |
(5Z,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
hydrofarnesylacetone; (5E,9E)-farnesyl acetone; farnesylacetone; CHEBI:67252; FEMA No. 3442; Farnesylacetone; trans, trans-farnesylacetone; DTXSID5061087; EINECS 212-097-9; AC1LVUAM; 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; AN-20576; (E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 3S0G4N267H; farnesylacetol; ST24026309; Pentadeca-5,9,13-triene-2-one, 6,10,14-trimethyl-; 46195_FLUKA; SCHEMBL17273769; SBB012619; AJ-61341; UNII-3S0G4N267H; 762-29-8; 36115P; Farnesyl acetone; 5,9,13-Pentadecatriene-2-one, 6,10,14-trimethyl-; LTUMRKDLVGQMJU-UHFFFAOYSA-N; LTUMRKDLVGQMJU-IUBLYSDUSA-N; EINECS 214-246-3; AK112408; 117F528; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]; AKOS015963256; Farnesylacetone, technical, mixture of stereo isomers, >=90% (GC); S408; Farnesyl acetone, (5E,9E)-; 6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one; E,E-farnesylacetone; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-; 1117-52-8; ZERO/001267; Farnesylacetone, mixture of isomers; trans,trans-farnesylacetone; 5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-; AC1Q1K55; MolPort-005-306-293; MFCD00036517; ZINC12358879; KB-208683; farnesyl acetone; 2,6,10-Trimethyl-2,6,10-pentadecatrien-14-one; UNII-26A08O86E6 component LTUMRKDLVGQMJU-IUBLYSDUSA-N; (E,E)-farnesylacetone; CHEMBL486207; TRIMETHYLPENTADECATRIEN-2-ONE; MCULE-4966055907; I14-113745; Famesyl acetone; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one #; e,e-farnesylacetone; (E, E)- farnesyl acetone; Famesyl acetone |
C18H30O |
262.4 g/mol |
CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
TCMBANKIN058958 |
LEVA |
gamma-Ketovaleric acid; .gamma.-Ketovaleric acid; 3-Acetylpropionsaeure; Levulinsaeure; InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8; Valeric acid, 4-oxo-; 4-03-00-01560 (Beilstein Handbook Reference); NSC3716; CHEBI:45630; .beta.-Acetylpropionic acid; AIDS017682; LMFA01060006; AI3-03377; ST5213942; 3-Ketobutane-1-carboxylic acid; Laevulinic acid; 4-Ketovaleric acid; 4-Oxopentanoic acid; 4-Oxovaleric acid; WLN: QV2V1; NSC 3716; Usaf cz-1; Acidum laevulinicum; PENTANOIC ACID,4-OXO MFC5 H8 O3; 3-Acetylpropionic acid; 4-Oxopentansaeure; Pentanoic acid, 4-oxo; Propionic acid, 3-acetyl-; BRN 0506796; EINECS 204-649-2; beta-Acetylpropionic acid; 4-oxo-pentanoic acid; 123-76-2; Pentanoic acid, 4-oxo-; Laevulic acid; Acetopropionic acid; Levulinic acid; VALERIC ACID, 4-OXO-(LEVULINIC ACID); Levulic acid; Laevulinsaeure; FEMA No. 2627; AIDS-017682; levulinic acid; 4-oxopentanoic acid |
C5H8O3 |
116.12 g/mol |
CC(=O)CCC(=O)O |
TCMBANKIN059062 |
acetoin |
(3S)-3-oxidanylbutan-2-one; A828564; AC1L9L7E; 1p28; (+)-acetoin; R,3-HYDROXYBUTAN-2-ONE; 78183-56-9; CTK2G5620; (3S)-3-hydroxy-2-butanone; (S)-Acetoin; HBS; S,3-HYDROXYBUTAN-2-ONE; (3S)-3-hydroxybutan-2-one; (S)-acetylmethylcarbinol; AJ-24161; (S)-2-Acetoin; UNII-BG4D34CO2H component ROWKJAVDOGWPAT-VKHMYHEASA-N; L-(+)-acetoin; ZINC895238; 2-Butanone, 3-hydroxy-, (3S)-; C01769; CHEBI:15687; DB02788;3-hydroxy-2-butanone;Acetyl methyl carbinol;3-Hydroxybutan-2-One |
C4H8O2 |
88.11 g/mol |
CC(C(=O)C)O |
TCMBANKIN059288 |
horhammericine |
|
C21H24N2O4 |
368.4 g/mol |
CC(C12CC(=C3C4(C1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC)O |
TCMBANKIN059314 |
3,4-di-o-caffeoyl-5-o-(3-hydroxy-3-methyl)glutaroyl quinicacid |
3,4-dicaffeoyl-5-(3-hydroxy-3-methyl) glutaroyl quinic acid;3,4-dicaffeoyl-5-(3-hydroxy-3-methyl)glutaroyl quinic acid; (1S)-3-(3,5-dihydroxy-3-methyl-5-oxopentanoyl)oxy-4,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid; AC1NSUGR |
C31H32O16 |
|
CC(CC(=O)O)(CC(=O)OC1CC(CC(C1OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O |
TCMBANKIN059416 |
vincarine |
|
C21H24N2O3 |
352.4 g/mol |
CC=C1CN2C3CC1C4(C2CC5(C3NC6=CC=CC=C65)C4O)C(=O)OC |
TCMBANKIN059417 |
pericalline |
|
C18H20N2 |
264.4 g/mol |
CC=C1CN2CCC1C(=C)C3=C(C2)C=C4C=CNC4=C3 |
TCMBANKIN059557 |
triacetonamine |
|
C9H17NO |
155.24 g/mol |
CC1(CC(=O)CC(N1)(C)C)C |
TCMBANKIN059885 |
(6s,9r)-roseoside |
|
C19H30O8 |
386.4 g/mol |
CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C |
TCMBANKIN060045 |
Skatol |
|
C9H9N |
131.17 |
CC1=CNC2=CC=CC=C12 |
TCMBANKIN060263 |
syringetin-3-rutinoside |
|
C29H34O17 |
654.57 |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O)O |
TCMBANKIN060340 |
vindolinine |
|
C21H24N2O2 |
336.4 g/mol |
CC1C23CC(C14C5(C2N(CC5)CC=C3)C6=CC=CC=C6N4)C(=O)OC |
TCMBANKIN060421 |
gomisin |
|
C30H32O9 |
536.6 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 |
TCMBANKIN060725 |
vincaleukoblastine;vinblastine;leurosidine;vincovalinine |
|
C46H58N4O9 |
810.97 g/mol |
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
TCMBANKIN060742 |
catharosine |
|
C22H28N2O4 |
384.5 g/mol |
CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=CC=CC=C45)C |
TCMBANKIN060743 |
lochnerinine |
|
C22H26N2O4 |
382.5 g/mol |
CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=C(N3)C=C(C=C6)OC)C(=O)OC |
TCMBANKIN060744 |
lochnercine |
|
C21H24N2O3 |
352.4 g/mol |
CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC |
TCMBANKIN061232 |
pseudoaconitine |
|
C36H51NO12 |
689.8 g/mol |
CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC(=O)C)OC)OC)O)COC |
TCMBANKIN061351 |
Insularine |
insularine; UNII-60I96OKL0W; O-Methylinsulanoline; 60I96OKL0W; 549-07-5; 6,9-(Epoxymethano)-8,11:20,23-dietheno-1H,12H-(1,10)dioxacyclooctadecino(2,3,4-ij:11,12,13-i'j')diisoquinoline, 2,3,12a,13,14,15,24,24a-octahydro-5,17,18-trimethoxy-1,13-dimethyl-, (12aR,24aR)-; Insularine [MI] |
C38H40N2O6 |
620.7 g/mol |
CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C7C(CC8=CC(=C(O4)C=C8)CO3)N(CCC7=CC(=C6OC)OC)C)OC |
TCMBANKIN061443 |
swertiajaponin |
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-; Swertiajaponin; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; C10187; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 6980-25-2;LMPK12111030; 6-beta-D-glucopyranosyl-3',4',5-trihydroxy-7-methoxyflavone; SCHEMBL4783740; Swertiajaponin; Leucanthoside;Leucanthoside;5,7,4'- trihydroxy- 6-methoxyflavone |
C22H22O11 |
462.4 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)C4C(C(C(C(O4)CO)O)O)O |
TCMBANKIN061953 |
Mallow pigment |
Rose oxides; Zinc oxide |
ZnO or OZn |
81.4 g/mol |
O=[Zn] |