> Benzenoids / Benzene and substituted derivatives / Anilides / Aromatic anilides / Benzanilides
|
4-[[4-[[4-[[3-Cyano-2-[[4-[[3-(4-hydroxyphenyl)-2-methylprop-2-enoyl]amino]benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid
|
123359863 |
Click to see
CC(=CC1=CC=C(C=C1)O)C(=O)NC2=CC=C(C=C2)C(=O)NC(CC#N)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C(=C(C=C4)C(=O)NC5=C(C(=C(C=C5)C(=O)O)O)OC)O)OC
|
842.80 |
unknown |
https://doi.org/10.1021/NP50023A005 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
Panduratin H
|
24864449 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)OC)C2=CC=CC=C2
|
298.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
[(2R)-7-Hydroxy-5-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-8-yl][(1R,2S,6R)-3-methyl-2-(3-methyl-2-butenyl)-6-phenyl-3-cyclohexenyl]methanone
|
101855692 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C3C(=C(C=C2O)OC)C=CC(O3)(C)CCC=C(C)C)C4=CC=CC=C4
|
540.70 |
unknown |
via CMAUP database |
[(2S)-7-Hydroxy-5-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-8-yl][(1R,2S,6R)-3-methyl-2-(3-methyl-2-butenyl)-6-phenyl-3-cyclohexenyl]methanone
|
101855694 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C3C(=C(C=C2O)OC)C=CC(O3)(C)CCC=C(C)C)C4=CC=CC=C4
|
540.70 |
unknown |
via CMAUP database |
Panduratin D
|
24864268 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C3C(=C(C=C2O)OC)C=CO3)C4=CC=CC=C4
|
430.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
(2S,3S,4R,5S,6S)-2-[[(1S,4aS,7S,7aR)-7-(hydroxymethyl)-4-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162909322 |
Click to see
CC1=COC(C2C1CCC2CO)OC3C(C(C(C(O3)CO)O)O)O
|
346.37 |
unknown |
https://doi.org/10.1021/NP50023A005 |
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
|
Choline
|
305 |
Click to see
C[N+](C)(C)CCO
|
104.17 |
unknown |
https://doi.org/10.1021/NP50023A005 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
(2R,3S,4R,5R,6S)-2-[[(1S,4aS,7S,7aS)-7-hydroxy-4-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162850296 |
Click to see
CC1=COC(C2C1CCC2O)OC3C(C(C(C(O3)CO)O)O)O
|
332.35 |
unknown |
https://doi.org/10.1021/NP50023A005 |
(2R,3S,4R,5R,6S)-6-[[(4aS,7aR)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-methyloxane-2,3,4,5-tetrol
|
158587 |
Click to see
CC1(C(C(C(OC1(CO)O)OC2C3C=CCC3C=CO2)O)O)O
|
330.33 |
unknown |
https://doi.org/10.1021/NP50023A005 |
(2R,3S,4R,5S,6R)-2-[[(1S,4aS,5S,6R,7R,7aS)-6-chloro-5,7-dihydroxy-4-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
163024360 |
Click to see
CC1=COC(C2C1C(C(C2O)Cl)O)OC3C(C(C(C(O3)CO)O)O)O
|
382.79 |
unknown |
https://doi.org/10.1021/NP50023A005 |
(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-4-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
101281308 |
Click to see
C1=CC(C2C1C(OC=C2CO)OC3C(C(C(C(O3)CO)O)O)O)O
|
346.33 |
unknown |
https://doi.org/10.1021/NP50023A005 |
(2S,3S,4R,5R,6R)-2-[[(1R,4aS,5S,7aS)-5-hydroxy-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
163037732 |
Click to see
CC1=COC(C2C1C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O
|
330.33 |
unknown |
https://doi.org/10.1021/NP50023A005 |
(2S,3S,4S,5R,6R)-2-[[(1S,4aS,5S,7aS)-5-hydroxy-4-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
163098963 |
Click to see
C1=CC(C2C1C(OC=C2CO)OC3C(C(C(C(O3)CO)O)O)O)O
|
346.33 |
unknown |
https://doi.org/10.1139/V73-261 |
(2S,3S,4S,5R,6R)-2-[[(1S,5S,7aS)-5-hydroxy-4-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
163195594 |
Click to see
C1=CC(C2C1C(OC=C2CO)OC3C(C(C(C(O3)CO)O)O)O)O
|
346.33 |
unknown |
https://doi.org/10.1139/V73-261 |
(3S,4R,4aS)-4-ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
|
354447 |
Click to see
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O
|
358.34 |
unknown |
https://doi.org/10.1021/NP50023A005 |
2-[(6-Chloro-5,7-dihydroxy-4-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
73744571 |
Click to see
CC1=COC(C2C1C(C(C2O)Cl)O)OC3C(C(C(C(O3)CO)O)O)O
|
382.79 |
unknown |
https://doi.org/10.1021/NP50023A005 |
beta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-4-methylcyclopenta(c)pyran-1-yl
|
158588 |
Click to see
CC1=COC(C2C1CCC2O)OC3C(C(C(C(O3)CO)O)O)O
|
332.35 |
unknown |
https://doi.org/10.1021/NP50023A005 |
Sweroside
|
161036 |
Click to see
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O
|
358.34 |
unknown |
https://doi.org/10.1021/NP50023A005 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
|
(2R,3R,4S,5S,6R)-6-[[(1R,4aS,5R,7aR)-5-hydroxy-4-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxymethyl]oxane-2,3,4,5-tetrol
|
163031030 |
Click to see
C1=CC(C2C1C(OC=C2CO)OCC3C(C(C(C(O3)O)O)O)O)O
|
346.33 |
unknown |
https://doi.org/10.1139/V73-261 |
6-[[5-Hydroxy-4-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxymethyl]oxane-2,3,4,5-tetrol
|
163031029 |
Click to see
C1=CC(C2C1C(OC=C2CO)OCC3C(C(C(C(O3)O)O)O)O)O
|
346.33 |
unknown |
https://doi.org/10.1139/V73-261 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
|
Panduratin E
|
24864269 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C3C(=C(C=C2O)OC)C=CC(O3)(C)C)C4=CC=CC=C4
|
472.60 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1021/NP50023A005 |
> Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids
|
(-)-nicolaioidesin B
|
637029 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3O)OC)O
|
406.50 |
unknown |
via CMAUP database |
(1'R,2'S,6'R)-2-Hydroxyisopanduratin A
|
23656472 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3O)O)O
|
392.50 |
unknown |
via CMAUP database |
(2-hydroxy-4,6-dimethoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
|
44444916 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C(C=C(C=C2OC)OC)O)C3=CC=CC=C3
|
420.50 |
unknown |
via CMAUP database |
2,6-Dihydroxy-4-methoxyphenyl[2beta-(3-methyl-2-butenyl)-3-methyl-6alpha-phenyl-3-cyclohexene-1beta-yl]methanone
|
25023021 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C(C=C(C=C2O)OC)O)C3=CC=CC=C3
|
406.50 |
unknown |
via CMAUP database |
4-hydroxypanduratin A
|
636530 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C(C=C(C=C2O)O)O)C3=CC=CC=C3
|
392.50 |
unknown |
via CMAUP database |
Isopanduratin A
|
10069916 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C(C=C(C=C2OC)O)O)C3=CC=CC=C3
|
406.50 |
unknown |
via CMAUP database |
Isopanduratin A1
|
44444913 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3OC)O)O
|
406.50 |
unknown |
via CMAUP database |
Panduratin A
|
6483648 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C(C=C(C=C2O)OC)O)C3=CC=CC=C3
|
406.50 |
unknown |
via CMAUP database |
Panduratin C
|
6483647 |
Click to see
CC1=CCC(C(C1CC=C(C)C)C(=O)C2=C(C=C(C=C2OC)O)O)C3=CC=C(C=C3)O
|
422.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 6-prenylated flavans / 6-prenylated flavanones
|
(2S)-6-geranylpinostrobin
|
44444914 |
Click to see
CC(=CCCC(=CCC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)OC)C)C
|
406.50 |
unknown |
via CMAUP database |
2alpha-Phenyl-6-[(E)-3,7-dimethyl-2,6-octadienyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
|
44444915 |
Click to see
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O)C)C
|
392.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 8-prenylated flavans / 8-prenylated flavanones
|
(2R)-8-geranylpinostrobin
|
23656470 |
Click to see
CC(=CCCC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)OC)C)C
|
406.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
|
Epigallocatechin
|
72277 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
|
306.27 |
unknown |
https://doi.org/10.1021/NP50023A005 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
Pinocembrin
|
68071 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
|
256.25 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Rutin
|
5280805 |
Click to see
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)O)O)O)O)O)O
|
610.50 |
unknown |
https://doi.org/10.1021/NP50023A005 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 5-O-methylated flavonoids
|
5-O-Methylnaringenin
|
182315 |
Click to see
COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=C(C=C3)O)O
|
286.28 |
unknown |
via CMAUP database |
Alpinetin
|
154279 |
Click to see
COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O
|
270.28 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
(2R)-5,7-Dimethoxyflavanone
|
689012 |
Click to see
COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC
|
284.31 |
unknown |
via CMAUP database |
(2S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
|
689011 |
Click to see
COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC
|
284.31 |
unknown |
via CMAUP database |
3,5,7-Trimethoxyflavone
|
117900 |
Click to see
COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC=CC=C3)OC
|
312.30 |
unknown |
via CMAUP database |
3',4',5,7-Tetramethoxyflavone
|
631170 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC
|
342.30 |
unknown |
via CMAUP database |
4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-phenyl-
|
5748697 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=CC=C3)O
|
298.29 |
unknown |
via CMAUP database |
5-Hydroxy-7-methoxy-2-phenylchroman-4-one
|
73201 |
Click to see
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
|
270.28 |
unknown |
via CMAUP database |
5,7-Dimethoxyflavone
|
88881 |
Click to see
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
|
282.29 |
unknown |
via CMAUP database |
Apigenin 7,4'-dimethyl ether
|
5281601 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
|
298.29 |
unknown |
via CMAUP database |
Apigenin trimethyl ether
|
79730 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
|
312.30 |
unknown |
via CMAUP database |
Kaempferol 3,7,4'-trimethyl ether
|
5468749 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC
|
328.30 |
unknown |
via CMAUP database |
Pinostrobin
|
6950539 |
Click to see
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
|
270.28 |
unknown |
via CMAUP database |
Quercetin pentamethyl ether
|
97332 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC
|
372.40 |
unknown |
via CMAUP database |
Retusin
|
5352005 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
|
358.30 |
unknown |
via CMAUP database |
Sakuranetin
|
73571 |
Click to see
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
|
286.28 |
unknown |
via CMAUP database |
Tectochrysin
|
5281954 |
Click to see
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
|
268.26 |
unknown |
via CMAUP database |
Tetramethylkaempferol
|
631095 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC
|
342.30 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Kavalactones
|
2H-Pyran-2-one, 4-methoxy-6-(2-phenylethyl)-
|
160673 |
Click to see
COC1=CC(=O)OC(=C1)CCC2=CC=CC=C2
|
230.26 |
unknown |
via CMAUP database |
Demethoxyyangonin
|
5273621 |
Click to see
COC1=CC(=O)OC(=C1)C=CC2=CC=CC=C2
|
228.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxy-dihydrochalcones
|
4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
|
42607705 |
Click to see
COC1=CC(=CC(=C1C(=O)CCC2=CC=C(C=C2)O)O)O
|
288.29 |
unknown |
via CMAUP database |
Phloretin
|
4788 |
Click to see
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
|
274.27 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
|
(E)-1-[(1R,4S,13R)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-3-phenylprop-2-en-1-one
|
101306880 |
Click to see
CC1(C2CCC3(CC2C4=C(O3)C=C(C(=C4O1)C(=O)C=CC5=CC=CC=C5)O)C)C
|
390.50 |
unknown |
via CMAUP database |
2',4-Dihydroxy-4',6'-dimethoxychalcone
|
6293081 |
Click to see
COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)O)O
|
300.30 |
unknown |
via CMAUP database |
Cardamonin
|
641785 |
Click to see
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O
|
270.28 |
unknown |
via CMAUP database |
CID 460718
|
460718 |
Click to see
C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2O)O)O
|
256.25 |
unknown |
via CMAUP database |
Helichrysetin
|
6253344 |
Click to see
COC1=CC(=CC(=C1C(=O)C=CC2=CC=C(C=C2)O)O)O
|
286.28 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 3-prenylated chalcones
|
2',4'-Dihydroxy-3'-[(2E)-3,7-dimethyl-2,6-octadienyl]-6'-methoxychalcone
|
23656471 |
Click to see
CC(=CCCC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=CC=C2)O)C)C
|
406.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Stilbenes
|
2,4-Dihydroxy-6-phenethylbenzoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
|
23656469 |
Click to see
CC(=CCCC(=CCOC(=O)C1=C(C=C(C=C1O)O)CCC2=CC=CC=C2)C)C
|
394.50 |
unknown |
via CMAUP database |