> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters
|
Methyl Salicylate
|
4133 |
Click to see
COC(=O)C1=CC=CC=C1O
|
152.15 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
3,4-Dihydroxybenzoic acid
|
72 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)O
|
154.12 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1055/S-2008-1074536 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
|
Methyl 3,4,5-trimethoxybenzoate
|
15956 |
Click to see
COC1=CC(=CC(=C1OC)OC)C(=O)OC
|
226.23 |
unknown |
via CMAUP database |
Syringic acid
|
10742 |
Click to see
COC1=CC(=CC(=C1O)OC)C(=O)O
|
198.17 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1055/S-2008-1074536 https://doi.org/10.1021/JF050721N |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
|
Gallic Acid
|
370 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)O
|
170.12 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 |
> Benzenoids / Naphthalenes / Naphthols and derivatives
|
1,4-Dihydroxynaphthalene
|
11305 |
Click to see
C1=CC=C2C(=C1)C(=CC=C2O)O
|
160.17 |
unknown |
via CMAUP database |
Naphthalene-1,4,5-triol
|
3083585 |
Click to see
C1=CC2=C(C=CC(=C2C(=C1)O)O)O
|
176.17 |
unknown |
via CMAUP database |
> Benzenoids / Naphthalenes / Naphthoquinones
|
1,4-Naphthalenedione, 2,3-dihydro-5-hydroxy-2-methyl-, (S)-
|
92449696 |
Click to see
CC1CC(=O)C2=C(C1=O)C=CC=C2O
|
190.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98092-0 |
1,4-Naphthoquinone
|
8530 |
Click to see
C1=CC=C2C(=O)C=CC(=O)C2=C1
|
158.15 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1016/S0031-9422(00)98092-0 https://doi.org/10.1016/S0031-9422(00)88684-7 |
3,3'-Bisjuglone
|
329584 |
Click to see
C1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O
|
346.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88767-1 |
5-Hydroxy-2-methoxy-1,4-naphthoquinone
|
10104346 |
Click to see
COC1=CC(=O)C2=C(C1=O)C=CC=C2O
|
204.18 |
unknown |
via CMAUP database |
5-Hydroxy-2-propoxynaphthalene-1,4-dione
|
162848095 |
Click to see
CCCOC1=CC(=O)C2=C(C1=O)C=CC=C2O
|
232.23 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
5-Hydroxy-2,3-dihydronaphthalene-1,4-dione
|
237108 |
Click to see
C1CC(=O)C2=C(C1=O)C=CC=C2O
|
176.17 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98092-0 |
5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone
|
10821969 |
Click to see
CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)C
|
202.21 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98092-0 |
Juglone
|
3806 |
Click to see
C1=CC2=C(C(=O)C=CC2=O)C(=C1)O
|
174.15 |
unknown |
https://doi.org/10.1016/0031-9422(88)83047-4 https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1515/ZNC-1994-11-1226 https://doi.org/10.1016/S0021-9673(97)01300-9 https://doi.org/10.1016/0165-1218(83)90182-9 https://doi.org/10.1021/JF050721N https://doi.org/10.1007/978-3-642-71425-2_1 https://doi.org/10.1076/PHBI.36.4.280.4580 https://doi.org/10.1016/S0031-9422(00)86833-8 https://doi.org/10.1248/CPB.15.242 |
Menadione
|
4055 |
Click to see
CC1=CC(=O)C2=CC=CC=C2C1=O
|
172.18 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98092-0 |
Plumbagin
|
10205 |
Click to see
CC1=CC(=O)C2=C(C1=O)C=CC=C2O
|
188.18 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98092-0 |
> Benzenoids / Phenols / Methoxyphenols
|
Syringaldehyde
|
8655 |
Click to see
COC1=CC(=CC(=C1O)OC)C=O
|
182.17 |
unknown |
https://doi.org/10.1021/JF050721N |
> Benzenoids / Tetralins
|
(4R)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
|
11171801 |
Click to see
COC1CCC(=O)C2=C(C=CC(=C12)O)O
|
208.21 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
(4S)-4,5,8-trihydroxytetralone
|
46239261 |
Click to see
C1CC(=O)C2=C(C=CC(=C2C1O)O)O
|
194.18 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
(S)-Isosclerone
|
10442251 |
Click to see
C1CC(=O)C2=C(C1O)C=CC=C2O
|
178.18 |
unknown |
https://doi.org/10.1016/0031-9422(88)83047-4 https://doi.org/10.1055/S-2008-1074536 |
1(2H)-Naphthalenone, 3,4-dihydro-4,5-dihydroxy-, (S)-
|
22217226 |
Click to see
C1CC(=O)C2=C(C1O)C(=CC=C2)O
|
178.18 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
4,5,8-Trihydroxytetralone
|
10921397 |
Click to see
C1CC(=O)C2=C(C=CC(=C2C1O)O)O
|
194.18 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
|
85420015 |
Click to see
COC1CCC(=O)C2=C(C=CC(=C12)O)O
|
208.21 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
Isosclerone
|
13369486 |
Click to see
C1CC(=O)C2=C(C1O)C=CC=C2O
|
178.18 |
unknown |
https://doi.org/10.1016/0031-9422(88)83047-4 https://doi.org/10.1055/S-2008-1074536 |
Regiolone
|
44576009 |
Click to see
C1CC(=O)C2=C(C1O)C=CC=C2O
|
178.18 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
gamma-Terpinene
|
7461 |
Click to see
CC1=CCC(=CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
Matairesinol
|
119205 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1207/S15327914NC5402_5 |
> Lignans, neolignans and related compounds / Lignan glycosides
|
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
11972318 |
Click to see
COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)C=CCO
|
568.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Carbocyclic fatty acids
|
9-Cyclopropylnonanoic acid
|
15579939 |
Click to see
C1CC1CCCCCCCCC(=O)O
|
198.30 |
unknown |
https://doi.org/10.5507/BP.2008.006 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
11,14-Eicosadienoic acid
|
5282805 |
Click to see
CCCCCC=CCC=CCCCCCCCCCC(=O)O
|
308.50 |
unknown |
via CMAUP database |
Arachidic Acid
|
10467 |
Click to see
CCCCCCCCCCCCCCCCCCCC(=O)O
|
312.50 |
unknown |
via CMAUP database |
Eicosa-11,14-dienoic acid
|
3208 |
Click to see
CCCCCC=CCC=CCCCCCCCCCC(=O)O
|
308.50 |
unknown |
via CMAUP database |
Eicosadienoic acid
|
6439848 |
Click to see
CCCCCC=CCC=CCCCCCCCCCC(=O)O
|
308.50 |
unknown |
via CMAUP database |
Elaidic Acid
|
637517 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
via CMAUP database |
Heptadecanoic acid
|
10465 |
Click to see
CCCCCCCCCCCCCCCCC(=O)O
|
270.50 |
unknown |
via CMAUP database |
Myristic Acid
|
11005 |
Click to see
CCCCCCCCCCCCCC(=O)O
|
228.37 |
unknown |
via CMAUP database |
Oleic Acid
|
445639 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
https://doi.org/10.1021/JF030451D |
Oleic acid-d2
|
13011408 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
284.50 |
unknown |
via CMAUP database |
Palmitic Acid
|
985 |
Click to see
CCCCCCCCCCCCCCCC(=O)O
|
256.42 |
unknown |
via CMAUP database |
Stearic Acid
|
5281 |
Click to see
CCCCCCCCCCCCCCCCCC(=O)O
|
284.50 |
unknown |
via CMAUP database |
Vaccenic acid, cis-
|
5282761 |
Click to see
CCCCCCC=CCCCCCCCCCC(=O)O
|
282.50 |
unknown |
https://doi.org/10.1021/JF030451D |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
Sterculic acid
|
12921 |
Click to see
CCCCCCCCC1=C(C1)CCCCCCCC(=O)O
|
294.50 |
unknown |
https://doi.org/10.5507/BP.2008.006 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
|
13,16-Docosadienoic acid
|
5282807 |
Click to see
CCCCCC=CCC=CCCCCCCCCCCCC(=O)O
|
336.60 |
unknown |
via CMAUP database |
13Z,16Z-docosadienoic acid
|
5312554 |
Click to see
CCCCCC=CCC=CCCCCCCCCCCCC(=O)O
|
336.60 |
unknown |
via CMAUP database |
Behenic Acid
|
8215 |
Click to see
CCCCCCCCCCCCCCCCCCCCCC(=O)O
|
340.60 |
unknown |
via CMAUP database |
Docosa-13,16-dienoic acid
|
193435 |
Click to see
CCCCCC=CCC=CCCCCCCCCCCCC(=O)O
|
336.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
Byzantionoside B
|
14135395 |
Click to see
CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C
|
372.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
Dilinoleoyl-oleoyl-glycerol
|
129724882 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCC=CCC=CCCCCC)(C(=O)CCCCCCCC=CCC=CCCCCC)O)O)O
|
881.40 |
unknown |
https://doi.org/10.1021/JF048918N |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
9Z,12E-octadecadienoic acid
|
5282797 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
via CMAUP database |
Linoleic Acid
|
5280450 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
via CMAUP database |
Linolenic Acid
|
5280934 |
Click to see
CCC=CCC=CCC=CCCCCCCCC(=O)O
|
278.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols
|
Trilinolein
|
5322095 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC
|
879.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids
|
Gibberellin A1
|
5280379 |
Click to see
CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
|
348.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
Gibberellin A20
|
5280481 |
Click to see
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O
|
332.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
Gibberellin A29
|
14605548 |
Click to see
CC12CC(CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
|
348.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
Gibberellin A4
|
92109 |
Click to see
CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O
|
332.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
Gibberellin A44
|
5460372 |
Click to see
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)COC2=O
|
346.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
Gibberellin A8
|
5280607 |
Click to see
CC12C3C(C45CC(=C)C(C4)(CCC5C3(CC(C1O)O)OC2=O)O)C(=O)O
|
364.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C20-gibberellins / C20-gibberellin 6-carboxylic acids
|
Gibberellin A19
|
5460209 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O
|
362.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
Gibberellin A53
|
440914 |
Click to see
CC12CCCC(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)(C)C(=O)O
|
348.40 |
unknown |
https://doi.org/10.1034/J.1399-3054.1994.910106.X |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
(+)-Linalyl acetate
|
6999980 |
Click to see
CC(=CCCC(C)(C=C)OC(=O)C)C
|
196.29 |
unknown |
via CMAUP database |
beta-OCIMENE, (3E)-
|
5281553 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00071A013 |
beta-Ocimene, (3Z)-
|
5320250 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
via CMAUP database |
Linalyl acetate
|
8294 |
Click to see
CC(=CCCC(C)(C=C)OC(=O)C)C
|
196.29 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
2-(3,7-Dimethylocta-1,6-dien-3-yl)benzoate
|
22447367 |
Click to see
CC(=CCCC(C)(C=C)C1=CC=CC=C1C(=O)[O-])C
|
257.35 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(-)-alpha-Thujene
|
637518 |
Click to see
CC1=CCC2(C1C2)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
alpha-Bergamotene
|
86608 |
Click to see
CC1=CCC2CC1C2(C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1002/HLCA.201200359 https://doi.org/10.1021/JF00071A013 |
Camphene
|
6616 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00071A013 |
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
|
(2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
|
8989 |
Click to see
CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
|
416.70 |
unknown |
https://doi.org/10.1021/JF050342U |
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
|
86052 |
Click to see
CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
|
416.70 |
unknown |
via CMAUP database |
6-Chromanol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-
|
586537 |
Click to see
CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O
|
402.70 |
unknown |
via CMAUP database |
Alpha-Tocopherol
|
14985 |
Click to see
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
|
430.70 |
unknown |
via CMAUP database |
beta-Tocopherol
|
6857447 |
Click to see
CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
|
416.70 |
unknown |
via CMAUP database |
Delta-Tocopherol
|
92094 |
Click to see
CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O
|
402.70 |
unknown |
via CMAUP database |
DL-alpha-Tocopherol
|
2116 |
Click to see
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
|
430.70 |
unknown |
via CMAUP database |
gamma-Tocopherol
|
92729 |
Click to see
CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
|
416.70 |
unknown |
via CMAUP database |
Tocopherols
|
14986 |
Click to see
CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
|
416.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocotrienols
|
Gama-Tocotrienol
|
53394606 |
Click to see
CC1=C(C=C2CCC(OC2=C1C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O
|
410.60 |
unknown |
via CMAUP database |
gamma-Tocotrienol
|
5282349 |
Click to see
CC1=C(C=C2CCC(OC2=C1C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O
|
410.60 |
unknown |
https://doi.org/10.1021/JF050342U |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(-)-gamma-Cadinene
|
92313 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
(+)-delta-Cadinene
|
441005 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
(1aS,1bS,3R,4R,5aS,6aS)-3-(2-hydroxypropan-2-yl)-1a,5a-dimethyl-1,1b,2,3,4,5,6,6a-octahydrocyclopropa[a]inden-4-ol
|
57394792 |
Click to see
CC12CC3CC3(C1CC(C(C2)O)C(C)(C)O)C
|
238.37 |
unknown |
https://doi.org/10.1016/J.BMCL.2012.01.010 |
(1aS,1bS,3R,4S,5aS,6aS)-3-(2-hydroxypropan-2-yl)-1a,5a-dimethyl-1,1b,2,3,4,5,6,6a-octahydrocyclopropa[a]inden-4-ol
|
57396552 |
Click to see
CC12CC3CC3(C1CC(C(C2)O)C(C)(C)O)C
|
238.37 |
unknown |
https://doi.org/10.1016/J.BMCL.2012.01.010 |
(1aS,1bS,3S,5aS,6aS)-3-(2-hydroxypropan-2-yl)-1a,5a-dimethyl-1b,2,3,5,6,6a-hexahydro-1H-cyclopropa[a]inden-4-one
|
57398335 |
Click to see
CC12CC3CC3(C1CC(C(=O)C2)C(C)(C)O)C
|
236.35 |
unknown |
https://doi.org/10.1016/J.BMCL.2012.01.010 |
(5S,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
|
42608159 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
(Z,E)-alpha-Farnesene
|
5362889 |
Click to see
CC(=CCCC(=CCC=C(C)C=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
alpha-Cadinol
|
10398656 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
Alpha-Farnesene
|
5281516 |
Click to see
CC(=CCCC(=CCC=C(C)C=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
alpha-Muurolene
|
12306047 |
Click to see
CC1=CC2C(CC1)C(=CCC2C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
beta-Cubebene
|
93081 |
Click to see
CC1CCC(C2C13C2C(=C)CC3)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1021/JF00071A013 |
gamma-Curcumene
|
12304273 |
Click to see
CC1=CC=C(CC1)C(C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
gamma-Muurolene
|
12313020 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
Guaiol
|
227829 |
Click to see
CC1CCC(CC2=C1CCC2C)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Bicyclogermacrane and isolepidozane sesquiterpenoids
|
Bicyclogermacrene
|
5315347 |
Click to see
CC1=CCCC(=CC2C(C2(C)C)CC1)C
|
204.35 |
unknown |
https://doi.org/10.1002/HLCA.201200359 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,8aR)-8-(hydroxymethyl)-4a-methyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
57391287 |
Click to see
CC12CCC=C(C1CC(CC2)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)CO
|
400.50 |
unknown |
https://doi.org/10.1016/J.BMCL.2012.01.010 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
|
(S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene
|
91723653 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1021/JF00071A013 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
57396551 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
|
650.80 |
unknown |
via CMAUP database |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
53462018 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
|
634.80 |
unknown |
https://doi.org/10.1021/NP1008202 |
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
72832182 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
|
650.80 |
unknown |
https://doi.org/10.1021/NP1008202 |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
73981773 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
|
650.80 |
unknown |
https://doi.org/10.1021/NP1008202 |
1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside
|
52952751 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)CO)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
|
648.80 |
unknown |
via CMAUP database |
3beta,22alpha-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside
|
52950912 |
Click to see
CC1CC(C2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O
|
634.80 |
unknown |
via CMAUP database |
3beta,23-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside
|
52950911 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
|
634.80 |
unknown |
via CMAUP database |
Arjunglucoside II
|
52951052 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
|
650.80 |
unknown |
https://doi.org/10.1021/NP1008202 |
hederagenin 28-O-beta-D-glucopyranosyl ester
|
21120798 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
|
634.80 |
unknown |
https://doi.org/10.1021/NP1008202 |
quadranoside IV
|
10372074 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
|
650.80 |
unknown |
https://doi.org/10.1021/NP1008202 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,3aR,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-3a,5a,5b,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
21672676 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
|
51340201 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
via CMAUP database |
(1S,3S,4aS,6aS,6aR,6bR,8aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-1,3-diol
|
57391286 |
Click to see
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(C(CC(C5(C)C)O)O)C)C)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/J.BMCL.2012.01.010 |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2R,5R,10R,11R,14R,15S,16R,17S,19S)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(3-methylbut-2-enyl)-18,20-dioxahexacyclo[17.2.1.01,14.02,11.05,10.015,19]docosan-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
101635352 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C7C(C(OC78CC6(C5(CCC4C3(C)C)C)CO8)CC=C(C)C)(C)O)C)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O
|
943.10 |
unknown |
via CMAUP database |
1-Oxo-3beta-hydroxyolean-18-ene
|
52950910 |
Click to see
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(C(=O)CC(C5(C)C)O)C)C)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
1-Oxo-3beta,23-dihydroxyolean-12-en-28-oic acid
|
11134679 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
|
486.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
14489124 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
470.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
14136880 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1C)C)C(=O)O
|
472.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
75057882 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
|
486.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
5320146 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
|
488.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
2,3-Dihydroxyolean-12-en-28-oic acid
|
3694932 |
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/NP1008202 |
2,3,24-Trihydroxy-12-ursen-28-oic acid
|
296191 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O
|
488.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
23-Hydroxyursolic Acid
|
14136881 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1C)C)C(=O)O
|
472.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
2Alpha,3Alpha,23-Trihydroxyurs-12-En-28-Oic Acid
|
9898760 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O
|
488.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
3-(Acetyloxy)olean-18-en-28-oic acid
|
635110 |
Click to see
CC(=O)OC1CCC2(C3CCC4C5=CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C(=O)O)(C)C)C
|
498.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
3-Hydroxyolean-12-en-28-oic acid
|
619166 |
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/NP1008202 https://doi.org/10.1055/S-2008-1074536 |
3-Oxo-23-hydroxyurs-12-en-28-oic acid
|
14396856 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)CO)C)C)C2C1C)C)C(=O)O
|
470.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,10-diol
|
72745631 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
3beta-Acetoxyolean-18-en-28-oic acid
|
21594125 |
Click to see
CC(=O)OC1CCC2(C3CCC4C5=CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C(=O)O)(C)C)C
|
498.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
9-(Hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
14396855 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)CO)C)C)C2C1C)C)C(=O)O
|
470.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
2371 |
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/10.1016/0031-9422(88)83047-4 |
alpha-Hederagenin
|
258538 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
|
472.70 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
Arjunolic acid
|
73641 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
|
488.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
beta-Ursolic acid
|
220774 |
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/10.1021/NP1008202 https://doi.org/10.1055/S-2008-1074536 |
Betulin
|
72326 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1007/978-1-4615-4913-0_23 |
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/10.1007/978-3-642-71425-2_1 https://doi.org/10.1016/0031-9422(88)83047-4 |
Colosolic acid
|
15917996 |
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/NP1008202 |
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/NP1008202 |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP1008202 https://doi.org/10.1055/S-2008-1074536 |
Lup-20(29)-ene-2alpha,3beta-diol
|
15127233 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
Lup-20(29)-Ene-3bate,23-Diol
|
14167263 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP1008202 https://doi.org/10.1055/S-2008-1074536 |
Maslinic Acid
|
73659 |
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/NP1008202 |
Oleanolic Acid
|
10494 |
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/NP1008202 https://doi.org/10.1055/S-2008-1074536 |
Scutellaric acid
|
12302571 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
|
472.70 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
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/10.1021/NP1008202 https://doi.org/10.1055/S-2008-1074536 |
Virgatic acid
|
14489125 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
470.70 |
unknown |
https://doi.org/10.1021/NP1008202 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
|
(3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
6432564 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
386.70 |
unknown |
via CMAUP database |
Cholest-5-en-3-ol
|
11025495 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
386.70 |
unknown |
via CMAUP database |
Cholesterol
|
5997 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
386.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins
|
Cucurbitacin E
|
5281319 |
Click to see
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O
|
556.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
(24R)-Methylcholest-5-en-3beta-ol
|
6428659 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
via CMAUP database |
22,23-Dihydrobrassicasterol
|
5283637 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
via CMAUP database |
5-Cholestene-3-ol, 24-methyl-
|
312822 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
via CMAUP database |
Campesterol
|
173183 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
|
Progesterone
|
5994 |
Click to see
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
|
314.50 |
unknown |
https://doi.org/10.1021/NP9007415 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(-)-beta-Sitosterol
|
6432744 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1007/978-3-642-71425-2_1 https://doi.org/10.1016/0031-9422(88)83047-4 https://doi.org/10.1055/S-2008-1074536 https://doi.org/10.1007/978-1-4615-4913-0_23 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1055/S-2008-1074536 https://doi.org/10.1016/0031-9422(88)83047-4 |
5,25-Stigmastadienol
|
286499 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C
|
412.70 |
unknown |
https://doi.org/10.1021/JF030451D |
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/10.1055/S-2008-1074536 https://doi.org/10.1016/0031-9422(88)83047-4 |
Clerosterol
|
5283638 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C
|
412.70 |
unknown |
via CMAUP database |
Stigmasta-5,7,22-trien-3-ol, (3beta)-
|
20843308 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C
|
410.70 |
unknown |
via CMAUP database |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
via CMAUP database |
> Nucleosides, nucleotides, and analogues / Purine nucleosides
|
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
|
191 |
Click to see
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
|
267.24 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Adenosine
|
60961 |
Click to see
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
|
267.24 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids
|
(2R)-2-azaniumyl-5-(carbamoylamino)pentanoate
|
7004911 |
Click to see
C(CC(C(=O)[O-])[NH3+])CNC(=O)N
|
175.19 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
|
Proline
|
145742 |
Click to see
C1CC(NC1)C(=O)O
|
115.13 |
unknown |
https://doi.org/10.1016/B978-0-08-020367-6.50007-6 |
> Organic nitrogen compounds / Organonitrogen compounds / N-arylamides / N-acetylarylamines
|
Thiolutin
|
6870 |
Click to see
CC(=O)NC1=C2C(=CSS2)N(C1=O)C
|
228.30 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
4-p-Coumaroylquinic acid
|
5281766 |
Click to see
C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O
|
338.31 |
unknown |
via CMAUP database |
Chlorogenic Acid
|
1794427 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
354.31 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1021/JF050721N |
Cryptochlorogenic acid
|
9798666 |
Click to see
C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O
|
354.31 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
Salidroside
|
159278 |
Click to see
C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O
|
300.30 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
(2S,3R,4S,5S,6R)-2-[(4,8-dihydroxy-1-naphthyl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
|
477404 |
Click to see
C1=CC2=C(C=CC(=C2C(=C1)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
338.31 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275244/ |
1,8,9,10-tetrahydroxy-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[1,2-c]isochromen-6-one
|
60149145 |
Click to see
C1=CC2=C3C(=CC(=C2C(=C1)O)OC4C(C(C(C(O4)CO)O)O)O)C5=C(C(=C(C=C5C(=O)O3)O)O)O
|
488.40 |
unknown |
via CMAUP database |
Jugnaphthalenoside B
|
60149220 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C4C(=C5C(=C3)C6=C(C(=C(C=C6C(=O)O5)O)O)O)C=CC=C4O)O)O)O)O)O)O
|
634.50 |
unknown |
via CMAUP database |
Jugnaphthalenoside C
|
60149221 |
Click to see
C1=CC2=C3C(=CC(=C2C(=C1)O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=C(C(=C(C=C6C(=O)O3)O)O)O
|
640.50 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
|
Valeraldehyde
|
8063 |
Click to see
CCCCC=O
|
86.13 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2014.10.095 |
> Organoheterocyclic compounds / Benzodioxoles
|
(9R)-17,19-dioxatetracyclo[12.6.1.12,6.016,20]docosa-1(20),2,4,6(22),14(21),15-hexaene-3,9-diol
|
163017235 |
Click to see
C1CCC2=CC(=C3C(=C2)OCO3)C4=C(C=CC(=C4)CCC(C1)O)O
|
326.40 |
unknown |
https://doi.org/10.1055/S-0030-1250609 |
> Organoheterocyclic compounds / Benzofurans
|
Bisabolangelone
|
12300142 |
Click to see
CC1=CC(=O)C2C(C1)OC(=CC=C(C)C)C2(C)O
|
248.32 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Dioxolopyrans
|
1,2:4,5-Di-O-isopropylidene-beta-D-fructopyranose
|
30336 |
Click to see
CC1(OCC2(O1)C(C3C(CO2)OC(O3)(C)C)O)C
|
260.28 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
CID 11379937
|
11379937 |
Click to see
CC1(OCC2(O1)C(C3C(CO2)OC(O3)(C)C)O)C
|
260.28 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
|
[(2S,5S)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-methyl-tetrahydrofuran-3-yl]methanol
|
45102554 |
Click to see
CC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)(CO)CO
|
279.30 |
unknown |
via CMAUP database |
Adenine
|
190 |
Click to see
C1=NC2=NC=NC(=C2N1)N
|
135.13 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
|
Melatonin
|
896 |
Click to see
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
|
232.28 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Indoles and derivatives / Tryptamines and derivatives / Serotonins
|
Serotonin
|
5202 |
Click to see
C1=CC2=C(C=C1O)C(=CN2)CCN
|
176.21 |
unknown |
https://doi.org/10.1016/S0044-328X(83)80104-4 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid
|
709 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1021/JF050721N |
4-Hydroxycinnamic acid
|
322 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1021/JF050721N https://doi.org/10.1016/S0031-9422(00)82903-9 |
Caffeic Acid
|
689043 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1021/JF050721N |
cis-p-Coumaric acid
|
1549106 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
via CMAUP database |
Ferulic acid
|
445858 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1021/JF050721N |
p-Coumaric acid
|
637542 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1021/JF050721N |
Sinapic acid
|
10743 |
Click to see
COC1=CC(=CC(=C1O)OC)C=CC(=O)O
|
224.21 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1021/JF050721N |
Sinapinic acid
|
637775 |
Click to see
COC1=CC(=CC(=C1O)OC)C=CC(=O)O
|
224.21 |
unknown |
https://doi.org/10.1021/JF050721N https://doi.org/10.1016/J.FOODCHEM.2006.11.008 |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
Osthol
|
10228 |
Click to see
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
|
244.28 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
|
(+)-Oxypeucedanin
|
928465 |
Click to see
CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C
|
286.28 |
unknown |
via CMAUP database |
Pentosalen
|
10212 |
Click to see
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
|
270.28 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
|
9-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
|
5315583 |
Click to see
CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
|
334.30 |
unknown |
via CMAUP database |
Bergapten
|
2355 |
Click to see
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
|
216.19 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Diarylheptanoids / Cyclic diarylheptanoids / Meta,meta-bridged biphenyls
|
(9R)-16-methoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
|
162871159 |
Click to see
COC1=CC2=CC(=C1O)C3=C(C=CC(=C3)CCC(CCCC2)O)O
|
328.40 |
unknown |
https://doi.org/10.1055/S-2008-1074536 https://doi.org/10.1055/S-0030-1250609 |
16-Methoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
|
74935994 |
Click to see
COC1=CC2=CC(=C1O)C3=C(C=CC(=C3)CCC(CCCC2)O)O
|
328.40 |
unknown |
https://doi.org/10.1055/S-2008-1074536 https://doi.org/10.1055/S-0030-1250609 |
> Phenylpropanoids and polyketides / Diarylheptanoids / Cyclic diarylheptanoids / Meta,para-diphenylether diarylheptanoids
|
(10S)-4,17-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol
|
15969439 |
Click to see
COC1=C2C=C(CCC(CCCCC3=C(C(=C(O2)C=C3)OC)O)O)C=C1
|
358.40 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
4,17-Dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol
|
44567146 |
Click to see
COC1=C2C=C(CCC(CCCCC3=C(C(=C(O2)C=C3)OC)O)O)C=C1
|
358.40 |
unknown |
https://doi.org/10.1055/S-2008-1074536 |
Juglanin A
|
70697839 |
Click to see
COC1=C2C=C(CCC(=O)CCCCC3=C(C(=C(O2)C=C3)OC)O)C=C1
|
356.40 |
unknown |
https://doi.org/10.1055/S-2008-1074536 https://doi.org/10.1055/S-0030-1250609 |
> Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids / Curcuminoids
|
(5r)-5-Hydroxy-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3-heptanone
|
637003 |
Click to see
COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O
|
344.40 |
unknown |
https://doi.org/10.1055/S-0030-1250609 |
5-Hydroxy-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxylphenyl)-3-heptanone
|
21588208 |
Click to see
COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O
|
344.40 |
unknown |
https://doi.org/10.1055/S-0030-1250609 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Myricetin
|
5281672 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
|
318.23 |
unknown |
https://doi.org/10.1021/JF061478A |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
|
15939939 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.85.6_547 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
5378597 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1002/ARDP.19552880805 |
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
12308704 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O
|
434.30 |
unknown |
https://doi.org/10.1002/ARDP.19552880805 |
3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
|
5748554 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O
|
418.30 |
unknown |
via CMAUP database |
3,3',4',5,5',7-Hexahydroxyflavone 3-O-Rhamnoside
|
44259441 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
|
464.40 |
unknown |
via CMAUP database |
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
44258913 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
Avicularin
|
5490064 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O
|
434.30 |
unknown |
https://doi.org/10.1002/ARDP.19552880805 |
Hyperoside
|
5281643 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1002/ARDP.19552880805 |
Quercetin 3-O-rhamnoside
|
5353915 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.85.6_547 |
Quercitrin-7-olate
|
49792009 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)[O-])O)O)O)O
|
447.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
Irilin D
|
10495590 |
Click to see
COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)O)O)O
|
316.26 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275244/ |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanols
|
(2S,3R)-3-(3,4-dihydroxyphenyl)-2,6,8-trihydroxy-2,3-dihydrochromen-4-one
|
57336522 |
Click to see
C1=CC(=C(C=C1C2C(OC3=C(C2=O)C=C(C=C3O)O)O)O)O
|
304.25 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Tannins
|
1,2,6-Trigalloylglucose
|
440308 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O
|
636.50 |
unknown |
via CMAUP database |
NP-003686
|
73178 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
|
788.60 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Tannins / Complex tannins
|
(10R,11R)-10-[(10R,11R)-11-[(S)-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-hydroxymethyl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-3,4,5,11,17,18,19-heptahydroxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione
|
162934648 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C(C3C(OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
1074.80 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(10R,11R)-10-[(10R,11S)-11-[(S)-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-hydroxymethyl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-3,4,5,11,17,18,19-heptahydroxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione
|
16157131 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C(C3C(OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
1074.80 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(10R,11R)-10-[(10R,11S)-11-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]oxymethyl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-3,4,5,11,17,18,19-heptahydroxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione
|
101686907 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)OCC3C(OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
1074.80 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(15S,19S)-19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
|
101676950 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1056.80 |
unknown |
via CMAUP database |
[(10R,11R)-10-[(15S,19S)-19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
101651021 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1208.90 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
[(10R,11S)-10-[(14R,15S,19R)-19-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
163015867 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1208.90 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Camelliatannin C
|
131753129 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C(C3C(OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
1074.80 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
CID 16169987
|
16169987 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1208.90 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
CID 16169988
|
16169988 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1208.90 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
(10R,11R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione
|
11754973 |
Click to see
C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O)CO)O)OC2=O)O)O)O
|
482.30 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(19R,20R)-20-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-7,8,9,13,19,25,26,27-octahydroxy-3,11,17,21-tetraoxapentacyclo[13.13.0.02,12.05,10.023,28]octacosa-1,5,7,9,12,14,23,25,27-nonaene-4,16,22-trione
|
101260012 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C4C(=C(C=C3C(=O)O1)O)OC5=C(C(=C(C=C5C(=O)O4)O)O)O)O)O)O)C6C7C(C8=C(C(=C(C(=C8C(=O)O7)C9=C(C(=C(C=C9C(=O)O6)O)O)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(19R,20R)-20-[(14R,15R,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-7,8,9,13,19,25,26,27-octahydroxy-3,11,17,21-tetraoxapentacyclo[13.13.0.02,12.05,10.023,28]octacosa-1,5,7,9,12,14,23,25,27-nonaene-4,16,22-trione
|
163078003 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C4C(=C(C=C3C(=O)O1)O)OC5=C(C(=C(C=C5C(=O)O4)O)O)O)O)O)O)C6C7C(C8=C(C(=C(C(=C8C(=O)O7)C9=C(C(=C(C=C9C(=O)O6)O)O)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(19R,20R)-20-[(14R,15S,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-7,8,9,13,19,25,26,27-octahydroxy-3,11,17,21-tetraoxapentacyclo[13.13.0.02,12.05,10.023,28]octacosa-1,5,7,9,12,14,23,25,27-nonaene-4,16,22-trione
|
11051289 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C4C(=C(C=C3C(=O)O1)O)OC5=C(C(=C(C=C5C(=O)O4)O)O)O)O)O)O)C6C7C(C8=C(C(=C(C(=C8C(=O)O7)C9=C(C(=C(C=C9C(=O)O6)O)O)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(1R,27R,29R,30R,47S)-6,7,8,15,16,17,21,29,35,36,37,40,41,42-tetradecahydroxy-2,12,19,25,28,31,46-heptaoxanonacyclo[25.20.0.04,9.010,23.011,20.013,18.030,47.033,38.039,44]heptatetraconta-4,6,8,10,13(18),14,16,20,22,33,35,37,39,41,43-pentadecaene-3,24,32,45-tetrone
|
10129709 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C8C(=C(C=C7C(=O)O1)O)OC9=C(O8)C=C(C(=C9O)O)O)O)O)O
|
906.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
(3,4,5,11,12,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl) 3,4,5-trihydroxybenzoate
|
13917511 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
|
634.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
[(10R,11R)-10-[(15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
101601178 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
[(10R,11S,12S,13S,15S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
49777202 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
938.70 |
unknown |
via CMAUP database |
[(10R,11S)-10-[(14R,15R,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
162948032 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
[(10R,11S)-10-[(14R,15S,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
162948033 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
[(10S,11R,12R,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate
|
9874083 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
|
634.50 |
unknown |
via CMAUP database |
[(1S,2R)-1-[(11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxybenzoate
|
50990002 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
|
786.60 |
unknown |
via CMAUP database |
[(1S,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate
|
50990634 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
936.60 |
unknown |
via CMAUP database |
[(8R,9S,27R,29S,30R,36S,37R,38R)-2,3,14,15,16,19,20,21,36,37-decahydroxy-6,11,24,32,35-pentaoxo-36-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-1(39),2,4,12,14,16,18,20,22,33-decaen-29-yl] 3,4,5-trihydroxybenzoate
|
101601927 |
Click to see
CC(=O)CC1(C(=O)C=C2C3C1(OC4=C3C(=CC(=C4O)O)C(=O)OC5C6COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)OC5C(C(O6)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC2=O)O)O)O)O)O)O)O)O
|
992.70 |
unknown |
via CMAUP database |
[3,4,5,11,21,22,23-Heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxybenzoate
|
146253567 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
5153915 |
Click to see
C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
1-Desgalloyleugeniin
|
9918701 |
Click to see
C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
1-O-Galloylpedunculagin
|
452242 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
1-O,3-O-Digalloyl-4-O,6-O-[(4,4',5,5',6,6'-hexahydroxy-2,2'-biphenylylene)biscarbonyl]-beta-D-glucopyranose
|
10056061 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
1,2-Di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl-beta-D-glucopyranose
|
101259865 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
1(beta)-O-Galloylpedunculagin
|
118701062 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoic acid
|
10033841 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)OC8=C(C(=C(C=C8C(=O)O)O)O)O)O)O)O)O)O
|
952.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
2,3-(S)-hexahydroxydiphenoyl-D-glucose
|
492390 |
Click to see
C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O)CO)O)OC2=O)O)O)O
|
482.30 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
20-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-7,8,9,13,19,25,26,27-octahydroxy-3,11,17,21-tetraoxapentacyclo[13.13.0.02,12.05,10.023,28]octacosa-1,5,7,9,12,14,23,25,27-nonaene-4,16,22-trione
|
85381219 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C4C(=C(C=C3C(=O)O1)O)OC5=C(C(=C(C=C5C(=O)O4)O)O)O)O)O)O)C6C7C(C8=C(C(=C(C(=C8C(=O)O7)C9=C(C(=C(C=C9C(=O)O6)O)O)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
3,4,5-Trihydroxy-2-[(7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl)oxy]benzoic acid
|
163049123 |
Click to see
C1C2C(C3C(O1)COC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)OC6=C(C(=C(C=C6C(=O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O2)O)O)O)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
3,4,5-trihydroxy-2-[[(1R,2R,19S,22R)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]benzoic acid
|
163049124 |
Click to see
C1C2C(C3C(O1)COC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)OC6=C(C(=C(C=C6C(=O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O2)O)O)O)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-34-yl]oxy]benzoic acid
|
16139451 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O
|
1104.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]benzoic acid
|
16174833 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O
|
1104.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
3,4,5-trihydroxy-2-[[(1S,2R,19S,20S,22R)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]benzoic acid
|
162952744 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O
|
1104.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
3,4,5-Trihydroxy-2-[[3,5,16,17,18,21,22,23,36,37,38-undecahydroxy-8,13,26,34-tetraoxo-29-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,31.011,28.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-4-yl]oxy]benzoic acid
|
163192283 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=CC(=C(C(=C8O)O)O)C(=O)O1)O)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O
|
1104.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
3,4,5-Trihydroxy-2-[[7,8,9,12,13,14,28,29,30,33,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-34-yl]oxy]benzoic acid
|
162914924 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O
|
1104.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
6,7,8,15,16,17,21,29,35,36,37,40,41,42-Tetradecahydroxy-2,12,19,25,28,31,46-heptaoxanonacyclo[25.20.0.04,9.010,23.011,20.013,18.030,47.033,38.039,44]heptatetraconta-4,6,8,10,13(18),14,16,20,22,33,35,37,39,41,43-pentadecaene-3,24,32,45-tetrone
|
162972609 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C8C(=C(C=C7C(=O)O1)O)OC9=C(O8)C=C(C(=C9O)O)O)O)O)O
|
906.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
7,8,9,12,13,14,20,28,29,30,33,34,35-Tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
|
492391 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
784.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
alpha-Pedunculagin
|
13834142 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
784.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
beta-Pedunculagin
|
5320441 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
784.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Casuarictin
|
73644 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Casuarinin
|
442673 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
CID 11766372
|
11766372 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
938.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
CID 14777390
|
14777390 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)OC8=C(C(=C(C=C8C(=O)O)O)O)O)O)O)O)O)O
|
952.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
CID 16174834
|
16174834 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O
|
1104.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
CID 442690
|
442690 |
Click to see
C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Ellagic Acid
|
5281855 |
Click to see
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
|
302.19 |
unknown |
https://doi.org/10.1016/J.FOODCHEM.2006.11.008 https://doi.org/10.1021/JF050721N |
Eugeniin
|
442679 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
938.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Gransrin B
|
101259864 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C8C(=C(C=C7C(=O)O1)O)OC9=C(O8)C=C(C(=C9O)O)O)O)O)O
|
906.60 |
unknown |
via CMAUP database |
Heterophylliin A
|
471120 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Isostrictinin
|
13917513 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3C(C(C(O2)CO)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O
|
634.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Pedunculagin
|
442688 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
784.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Praecoxin A
|
14777391 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)OC8=C(C(=C(C=C8C(=O)O)O)O)O)O)O)O)O)O
|
952.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Rugosin C
|
101590860 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC5=C(C6=C(C(=C(C=C6C(=O)O3)O)O)O)C(=C(C(=C5)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O
|
1076.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
S45A8T6Q4C
|
13834145 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
|
936.60 |
unknown |
via CMAUP database |
Sanguiin H4
|
13917512 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3C(C(C(O2)CO)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O
|
634.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Stachyurin
|
157395 |
Click to see
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Strictinin
|
73330 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
|
634.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Tellimagrandin II
|
151590 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
938.70 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00333-9 |
Valoneic acid dilactone
|
10151874 |
Click to see
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)OC5=C(C(=C(C=C5C(=O)O)O)O)O
|
470.30 |
unknown |
https://doi.org/10.1021/JF0612171 |