TCMBANKIN000962 |
campesterol |
campesterol ; FT-0082089; Augelicincampesterol; (24R)-5-Ergosten-3; (1R,3AS,3BR,9AS,9BS,11AR)-1-[(2R,5R)-5,6-DIMETHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,5AH,6H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; A-ol; 24(R)-Ergost-5-en-3beta-ol; 24alpha-Methyl-5-cholesten-3beta-ol; AK307302; SC-66911; (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AKOS027320474; MFCD00010475; Campesterin; MolPort-035-882-175 |
C28H48O |
400.68 |
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
TCMBANKIN002550 |
leucocyanidin |
(2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,4,5,7-TETROL; ZINC4096940; (2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,4alpha,5,7-tetrol; 867061-09-4 |
C15H14O7 |
306.27 g/mol |
C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O |
TCMBANKIN004475 |
isonarthogenin |
|
C28H46O4 |
|
CCC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5(CCC(CO5)CO)C |
TCMBANKIN005236 |
2-furanmethannl |
|
|
|
|
TCMBANKIN012498 |
cyanin |
LMPK12010113; Cyanidin 3,5-diglucoside; cyanine; Cyanin |
C27H31O16+ |
611.5 g/mol |
C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
TCMBANKIN012544 |
kaempferol-3-rhamnosyl glucoside-7-glucoside |
|
C33H40O20 |
|
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O |
TCMBANKIN012620 |
6-O-β-D-gluecopyranosyllactinolid |
|
|
|
|
TCMBANKIN013955 |
chrysanthemol |
chrysanthemol ; ZINC15208543; MolPort-044-723-367; (+)-Chrysanthemol[terpene] |
C10H18O |
154.25 g/mol |
CC(=CC1C(C1(C)C)CO)C |
TCMBANKIN014618 |
Campesteryl ferulate |
campesteryl ferulate |
C38H56O4 |
576.85 |
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C |
TCMBANKIN015638 |
phaseollinisoflavan |
CHEMBL465812; UNII-3A9F71823M; Phaseollinisoflavan; AC1L4R8F; CHEBI:109; 3A9F71823M; LMPK12080014; 6-(7-hydroxychroman-3-yl)-2,2-dimethyl-2H-chromen-5-ol; DTXSID60193326; (3R)-2',2'-dimethyl-3,4-dihydro-2H,2'H-3,6'-bichromene-5',7-diol; (3R)-3,4-Dihydro-2',2'-dimethyl-3,6'-bi[2H-1-benzopyran]-5',7-diol; C10515; 40323-57-7; AC1Q7BE7; Phaseollin (isoflavan); (-)-Phaseollinisoflavan; 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol; (3,6'-Bi-2H-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (R)-; (3,6'-bi-2h-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-,(r)- |
C20H20O4 |
324.4 g/mol |
CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C=C(C=C4)O)OC3)C |
TCMBANKIN019575 |
Soyasaponin V |
soyasaponin v |
C48H78O19 |
959.12 |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
TCMBANKIN024433 |
sandosaponin a |
|
C48H76O19 |
957.1 g/mol |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
TCMBANKIN025650 |
delphin |
Delphin; SCHEMBL318115; LMPK12010283; DELPHIN |
C27H31O17+ |
627.5 g/mol |
C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
TCMBANKIN025776 |
delphinidin-3-o-β-d-(6-(e)-p-coumaryl)galactopyranoside |
delphinidin 3-o-beta-d-(6-(e)-p-coumaryl)galactopyranoside |
C30H27O14+ |
|
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O |
TCMBANKIN026229 |
delphindin |
|
C15H11O7 |
|
C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O |
TCMBANKIN026717 |
sparassol |
methyl 4-methoxy-6-methyl-salicylate; Spectrum2_000404; UNII-49LGW9K0EH; CHEBI:92544; Spectrum5_001794; Sparassol; 520-43-4; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate; PFVPJOAAHSOENR-UHFFFAOYSA-N; AKOS000278016; KBioGR_001562; Sparassol [MI]; SPECTRUM210924; Spectrum4_000951; BG01204997; SPBio_000328; 49LGW9K0EH; SCHEMBL950536; SR-05000002435; SDCCGMLS-0066908.P001; 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; Methyl everninate; CHEMBL1595401; METHYL EVERNINIC ACID; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #; 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester; KBio3_001208; Methyl 4-methoxy-6-methylsalicylate; AC1LC8Q4; Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester; BSPBio_001708; CCG-38673; 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; SR-05000002435-1; Spectrum3_000264; NCGC00095818-02; methyl 2-hydroxy-4-methoxy-6-methyl-benzoate; NCGC00095818-01; BRD-K31477169-001-01-3 |
C10H12O4 |
196.2 g/mol |
CC1=CC(=CC(=C1C(=O)OC)O)OC |
TCMBANKIN027920 |
pipecolic acid |
pipecolic acid ; pipecolicacid |
C6H11NO2 |
129.16 g/mol |
C1CCNC(C1)C(=O)O |
TCMBANKIN028117 |
sandosaponin b |
|
C48H76O19 |
957.1 g/mol |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
TCMBANKIN028718 |
(+)-sandvicene |
|
C15H24 |
204.35 g/mol |
CC1(CCC2=CCC(CCC21)(C)C=C)C |
TCMBANKIN031193 |
pelargonidin-3-galactoside |
|
C21H21ClO10 |
468.8 g/mol |
C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O.[Cl-] |
TCMBANKIN031607 |
Pelargonidin-3,5-diglucoside |
pelargonidin-3,5-diglucoside |
C27H31ClO15 |
631 g/mol |
C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O.[Cl-] |
TCMBANKIN031921 |
leucodelphinidin |
Leucodelphinidin; CHEMBL460265 |
C15H14O8 |
322.27 |
C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O |
TCMBANKIN033849 |
peucedanin |
HMS2675C08; Oprea1_837278; SMR000102964; AB00053108-02; NCGC00095695-02; BRD-K72034655-001-02-1; MLS001049116; 2-isopropyl-3-methoxy-7H-furo[3,2-g]chromen-7-one; 5-Benzofuranacrylic acid, 6-hydroxy-2-isopropyl-3-methoxy-, delta-lactone; BSPBio_003373; KBio2_007162; 5-19-06-00042 (Beilstein Handbook Reference); SCHEMBL2249089; CHEBI:8034; Spectrum4_001666; Spectrum5_000571; KBio2_004594; MolPort-000-882-022; 6-Hydroxy-2-isopropyl-3-methoxy-5-benzofuranacrylic acid delta-lactone; MCULE-2664497001; 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one; SPBio_000658; AC1L1RCV; 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one; CHEMBL1410943; AKOS000278122; 4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin; CCG-40070; KBioGR_002191; Oreoselone methyl ether; 2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one; KBioSS_002026; SPECTRUM1504168; KBio1_001992; NCGC00095695-01; ST50909203; 3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one; STK396320; C09283; MEGxp0_001552; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2-ISOPROPYL-3-METHOXY-; Spectrum3_001647; 7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)-; Spectrum_001546; LS-70731; Peutsedin; SpecPlus_000952; Bio-0240; YQBNJPACAUPNLV-UHFFFAOYSA-; CTK4B8448; N021633LOB; UNII-N021633LOB; 133-26-6; Peucedanin; Spectrum2_000729; 3-Methoxy-2-(1-methylethyl)-7 H -furo[3,2- g ][1]benzopyran-7-one; 2-Isopropyl-3-methoxy-7 H -furo[3,2- g ][1]benzopyran-7-one; SDCCGMLS-0066802.P001; KBio3_002593; DTXSID10157897; DivK1c_007048; InChI=1/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3; NCGC00095695-03!3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one; KBio2_002026; ZINC1912; 6-methoxy-7-(methylethyl)furano[3,2-g]chromen-2-one; Oprea1_190644; BRN 0234473 |
C15H14O4 |
258.27 g/mol |
CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC |
TCMBANKIN037791 |
Glucosamine |
|
|
179.17 g/mol |
|
TCMBANKIN038813 |
Leurocolumbine |
|
|
|
|
TCMBANKIN041266 |
Leucopelargonidin |
(+)-leucopelargonidin; 3,4,5,7,4'-pentahydroxyflavan; 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; FT-0627804; ACM520172; SCHEMBL18196214; Leucopelargonidin; 2H-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(4-hydroxyphenyl)-; (2R,3S,4S)-3,4,5,7,3,4-Hexahydroxyflavan; AC1MMJ46; 3,4,4',5,7-Flavanpentol; Leucopelargonidine; 520-17-2 |
C15H14O6 |
290.268 |
c1([H])c(O[C@@]([H])(c2c([H])c([H])c(O[H])c([H])c2[H])[C@]([H])(O[H])[C@@]3([H])O[H])c3c(O[H])c([H])c1O[H] |
TCMBANKIN044562 |
l-beta-cyanolanine |
|
|
114.103 |
|
TCMBANKIN045496 |
phytolaccoside b |
|
C36H56O11 |
664.8 g/mol |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC |
TCMBANKIN050307 |
d-alpha-pipecoline |
d-α-pipecoline |
C6H13N |
99.17 g/mol |
CC1CCCCN1 |
TCMBANKIN058075 |
delphinidin-3-glucoside |
delphinidin-3-glu-coside;Delphinidin 3-O-glucoside |
C21H21O12+ |
465.4 g/mol |
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
TCMBANKIN058126 |
chrysanthemin |
cyanidin-3-glucoside; Chrysanthemin; LMPK12010110; cyanidin 3-glucoside; Cyanidin 3-O-glucoside; cyanidin 3-o-glucoside; cyanidin-3-O-glucoside |
C28H58O |
410.76 |
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)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 |
TCMBANKIN059275 |
propane-2-thiol |
2-propanethiol |
C3H8S |
76.16 g/mol |
CC(C)S |
TCMBANKIN059491 |
Phaseolin |
|
C20H18O4 |
322.35 g/mol |
CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)C |
TCMBANKIN059611 |
esculentoside B |
|
C36H56O11 |
664.8 g/mol |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC |
TCMBANKIN060110 |
oestrone |
|
C18H22O2 |
270.4 g/mol |
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
TCMBANKIN060166 |
kaempferol-7-O-rhamnoside |
|
C21H20O10 |
432.38 |
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O |
TCMBANKIN060679 |
stigmasterol |
|
C29H48O |
412.7 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
TCMBANKIN060680 |
stigmasterol-3-glucoside |
|
C35H58O6 |
574.83 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
TCMBANKIN061223 |
1-propanethiol |
|
C3H8S |
76.16 g/mol |
CCCS |
TCMBANKIN061744 |
Petunidin 3-O-glucoside |
petunidin-3-glucoside |
C22H23O12+ |
479.4 g/mol |
COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |