> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,12aS,14aR,14bR)-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
11297842 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(C(C(C9(C8CC(CC9)(C)C)COC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1283.40 |
unknown |
https://doi.org/10.1021/NP0301644 https://doi.org/10.1016/J.PHYTOCHEM.2006.01.017 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
21589495 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(C(C(C9(C8CC(CC9)(C)C)CO)O)O)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1121.30 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.017 https://doi.org/10.1021/NP0301644 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
11434824 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(CC9)(C)C)COC1C(C(C(C(O1)CO)O)O)O)OC(=O)C)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1309.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.017 https://doi.org/10.1021/NP0301644 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8a-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
11228705 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(CC9)(C)C)COC1C(C(C(C(O1)CO)O)O)OC1C(C(C(CO1)O)O)O)O)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1399.50 |
unknown |
https://doi.org/10.1021/NP0301644 https://doi.org/10.1016/J.PHYTOCHEM.2006.01.017 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8-acetyloxy-9-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
11355302 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(CC9O)(C)C)CO)OC(=O)C)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1163.30 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.017 https://doi.org/10.1021/NP0301644 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
11274788 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(CC9O)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1121.30 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.017 https://doi.org/10.1021/NP0301644 |
(2S,3S,4S,5R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,12aS,14aR,14bR)-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
163192035 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(C(C(C9(C8CC(CC9)(C)C)COC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1283.40 |
unknown |
https://doi.org/10.1021/NP0301644 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
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(2Z,4E,6E,8E,10E,12E,14E,16E,18E,20E)-21-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,10,15,19-tetramethyl-2-(4-methylpent-3-enyl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenal
|
162934547 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(CCC=C(C)C)C=O)C)C
|
566.90 |
unknown |
https://doi.org/10.1246/BCSJ.47.885 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,13S,14bS)-10-hydroxy-13-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
163020305 |
Click to see
CC1CCC2(CCC3(C(=CC(C4C3(CCC5C4(CCC(C5(C)C)O)C)C)OC)C2C1C)C)C(=O)O
|
486.70 |
unknown |
https://doi.org/10.1021/NP030069V |
(1S,4R,5R,8R,10S,13R,14S,17S,18S,19R,20S)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
|
154497643 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5C=CC4(C2C1C)OC3=O)C)O)(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1021/NP030069V |
(1S,4S,5S,8S,10S,11R,13R,14R,17S,18S,19S,20R)-10,11-dihydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
|
162853621 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(C(CC6(C5C=CC4(C2C1C)OC3=O)C)O)O)(C)C)C)C
|
470.70 |
unknown |
https://doi.org/10.1021/NP030069V |
(3S,4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,14a-tetradecahydropicen-3-ol
|
154497735 |
Click to see
CC1(CCC2(CCC3(C(C2C1)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP030069V |
(3S,4aS,6aR,6bS,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
|
154496541 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP030069V |
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
7163260 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C
|
472.70 |
unknown |
https://doi.org/10.1021/NP030069V |
(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
51892422 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1021/NP030069V |
3-O-Acetyloleanolic acid
|
151202 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
|
498.70 |
unknown |
https://doi.org/10.1007/BF02973871 |
Betulinic Acid
|
64971 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1021/NP030069V |
Corosolic acid
|
6918774 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O
|
472.70 |
unknown |
https://doi.org/10.1021/NP030069V |
Euscaphic Acid
|
471426 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O
|
488.70 |
unknown |
https://doi.org/10.1021/NP030069V |
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1007/BF02973871 |
Ursolic acid acetate
|
6475119 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O
|
498.70 |
unknown |
https://doi.org/10.1007/BF02973871 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
12314479 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP030069V |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1021/NP030069V |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
Jacaranone
|
73307 |
Click to see
COC(=O)CC1(C=CC(=O)C=C1)O
|
182.17 |
unknown |
https://doi.org/10.1007/BF02973871 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(2,4,5-trihydroxyphenyl)ethoxy]oxan-3-yl] 2-(2,4,5-trihydroxyphenyl)acetate
|
44559135 |
Click to see
C1=C(C(=CC(=C1O)O)O)CCOC2C(C(C(C(O2)CO)O)O)OC(=O)CC3=CC(=C(C=C3O)O)O
|
498.40 |
unknown |
https://doi.org/10.1021/NP060096W |
Ternstroside A
|
16091519 |
Click to see
C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)O)OC(=O)CC3=CC(=C(C=C3)O)O)O)O
|
466.40 |
unknown |
https://doi.org/10.1021/NP060096W |
Ternstroside B
|
16091520 |
Click to see
C1=CC(=CC=C1CC(=O)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)CO)O)O)O
|
450.40 |
unknown |
https://doi.org/10.1021/NP060096W |
Ternstroside C
|
16091521 |
Click to see
C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)OC(=O)CC3=CC(=C(C=C3)O)O)O)O)O
|
466.40 |
unknown |
https://doi.org/10.1021/NP060096W |
Ternstroside D
|
16091522 |
Click to see
C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)CC3=CC(=C(C=C3)O)O)O)O)O)O)O
|
466.40 |
unknown |
https://doi.org/10.1021/NP060096W |
Ternstroside E
|
16091523 |
Click to see
C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)OC(=O)CC3=CC(=C(C=C3)O)O)O
|
450.40 |
unknown |
https://doi.org/10.1021/NP060096W |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
16091525 |
Click to see
C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)CO)O)O)O)O)O
|
742.60 |
unknown |
https://doi.org/10.1021/NP060096W |