TCMBANKIN000768 |
peruvoside-2'-monoacetate |
|
C32H46O10 |
|
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC(=O)C)OC)O |
TCMBANKIN001224 |
lupinine |
|
C10H19NO |
169.26 g/mol |
C1CCN2CCCC(C2C1)CO |
TCMBANKIN001614 |
sabialactone |
|
C30H46O4 |
|
CC1(CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5CC(C4(C2C1)O)OC3=O)C)(C)C)C)C)C |
TCMBANKIN003447 |
cerberoside |
|
C42H66O18 |
859 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)OC)O |
TCMBANKIN008481 |
Ruvoside |
3-[(5R,10R,14S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; ruvoside; AC1O3DXD |
C30H46O9 |
550.68 |
[HH].CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)CO)O)OC)O |
TCMBANKIN010356 |
quercetin-3-o-[(6-o-sinapoyl)-β-d-glucopyra-nosyl-(1→2)-β-d-galactopyranoside] |
|
C38H40O21 |
|
COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O |
TCMBANKIN010481 |
theviridoside |
|
C17H24O11 |
404.4 g/mol |
COC(=O)C1=COC(C2C1(CC=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
TCMBANKIN010896 |
petasin |
|
C20H28O3 |
316.4 g/mol |
CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C |
TCMBANKIN012967 |
petasitenine |
|
C19H27NO7 |
381.4 g/mol |
CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C |
TCMBANKIN017905 |
petasalbin |
|
C15H22O2 |
234.33 g/mol |
CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C |
TCMBANKIN018998 |
kaempferol 3-o-[(6-o-feruloyl)-β-d-glucopy-ranosyl-(1→2)-β-d-galactopyranoside] |
|
C37H38O19 |
|
|
TCMBANKIN020905 |
thevetin b |
|
C42H66O18 |
859 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O |
TCMBANKIN022142 |
kaempferol-3-o-[(6-o-sinapoyl)-β-d-glucopyra-nosyl-(1→2)-β-d-galactopyranoside] |
|
C38H40O20 |
|
|
TCMBANKIN022372 |
nerinine |
|
C19H25NO5 |
347.4 g/mol |
CN1CCC2=CCC3C(C21)C4=CC(=C(C(=C4C(O3)O)OC)OC)OC |
TCMBANKIN022821 |
vertia flavone |
|
C16H12O5 |
|
COC1=C2C(=CC(=C1)O)OC(=CC2=O)C3=CC=C(C=C3)O |
TCMBANKIN023957 |
malayoside |
|
C29H42O9 |
534.6 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)O)O |
TCMBANKIN025320 |
verticillatine |
|
C20H25ClN2O3 |
0 |
CC1C2COC(C3C2CC4[N+]1(C3CC5=C4NC6=C5C=C(C=C6)O)C)O.[Cl-] |
TCMBANKIN025687 |
Thiamine |
(Riboflavin); thiamine; thiamine chloride; vitamin b1 |
C12H18Cl2N4OS |
337.3 g/mol |
[H+].CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-].[Cl-] |
TCMBANKIN025931 |
peruvoside |
|
C30H44O9 |
548.66 |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)O |
TCMBANKIN027838 |
Lupeol acetate |
lupeol acetate; 3-Acetyllupeol; Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester; C08630; AIDS-076591; Lup-20(29)-en-3-ol, acetate, (3beta)-; LMPR01060014; AIDS076591; Lup-20(29)-en-3beta-ol, acetate (8CI); NSC 281806; 1617-68-1; EINECS 216-575-8 |
C32H52O2 |
468.75 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
TCMBANKIN029463 |
kaempferol 3-o-{β-d-glucopyranosyl-(1→2)-[α-l-rhamonopyranosyl-(1→6)]-β-d-galactopyra-noside} |
|
C33H40O20 |
|
|
TCMBANKIN031328 |
thevetin a |
|
C42H64O19 |
872.9 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O |
TCMBANKIN034150 |
perusitin |
|
C30H44O10 |
0 |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C(=O)O)O)OC)O |
TCMBANKIN035233 |
cerberin |
Pveneniferin; 25633-33-4; CHEBI:75049; 3beta-O-(L-2'-O-acetylthevetosyl)-14beta-hydroxy-5beta-card-20(22)-enolide; C19984; 25633-34-5; 1401-88-3; KW5A155S64; Neriifolin-monoacetat; UNII-KW5A155S64; (3beta,5beta)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide; 2'-acetylneriifolin; CHEMBL554969; Cerberin; SCHEMBL868106 |
C32H48O9 |
576.7 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O |
TCMBANKIN038232 |
panasenoside |
LMPK12111666; Panasenoside |
C27H30O16 |
610.52 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
TCMBANKIN039013 |
quercetin-3-o-[β-d-glucopyranosyl-(1→2)-β-d-glucopyranoside] |
|
C27H30O17 |
|
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O |
TCMBANKIN039024 |
Peruvianoside I |
|
|
494.4 g/mol |
|
TCMBANKIN041480 |
peruvianoside iii |
|
C33H40O21 |
772.7 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
TCMBANKIN042172 |
Spetasin |
s-petasin |
|
334.5 g/mol |
|
TCMBANKIN043108 |
Theveside |
|
|
390.34 g/mol |
|
TCMBANKIN043712 |
Thevefolin |
|
C30H46O8 |
534.7 g/mol |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])(C2=C([H])C(=O)OC2([H])[H])C([H])([H])C3([H])[H])[C@]34O[H])[C@@]4([H])C([H])([H])C5([H])[H])
[C@@]5([H])C([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]6([H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[H])[C@@]6([H])O[H] |
TCMBANKIN044839 |
17β-neriifolin |
17 beta-neriifolin |
C30H46O8 |
0 |
|
TCMBANKIN044863 |
Peruvianoside II |
|
|
494.4 g/mol |
|
TCMBANKIN058132 |
quercetin-3-o-[β-d-glucopyranosyl-(1→2)-β-d-galactopyranoside] |
27459-71-8; Quercetin-3-O-sophoroside; C12667; Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Quercetin 3-beta-D-sophoroside; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone; Quercetin 3-O-sophoroside; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; Baimaside; 18609-17-1; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; quercetin-3-O-β-D-sophoroside; quercetin-3-sophoroside; QUOSP |
|
626.52 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
TCMBANKIN058216 |
Sophoraflavonoloside |
4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside; sophoraflavonoloside; Kaempferol-3-O-sophoroside; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Kaempferol-3-sophoroside; Kaempferol 3-O-beta-D-sophoroside; C12634; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Kaempferol 3-O-sophoroside; K3S; Flavone, 3,4',5,7-tetrahydroxy-, 3-(2-O-beta-D-glucopyranosyl-beta-glucopyranoside); 30373-88-7; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 19895-95-5; 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-diglucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-;kaempferol-3-sophoroside |
C27H30O16 |
610.52 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
TCMBANKIN058550 |
theveside |
|
C16H22O11 |
390.34 g/mol |
C1C=C(C2C1(C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)O)CO |
TCMBANKIN060252 |
thevebioside |
|
C36H56O13 |
|
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC)O |
TCMBANKIN060253 |
cerberoside |
|
C42H66O18 |
859 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)OC)O |
TCMBANKIN060973 |
malic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCCCCC1=C(C1)CCCCCCC(=O)O |
TCMBANKIN061582 |
quercetin-3-o-[(6-o-feruloyl)-β-d-glucopyra-nosyl-(1→2)-β-d-galactopyranoside] |
|
|
|
COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O)O |