> Alkaloids and derivatives / Aporphines
|
Dicentrine
|
101300 |
Click to see
CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3
|
339.40 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
> Lignans, neolignans and related compounds / Furanoid lignans
|
4-[6-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
234817 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1080/10286021003745452 |
Pinoresinol
|
73399 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1080/10286021003745452 |
Syringaresinol
|
100067 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
|
418.40 |
unknown |
https://doi.org/10.1080/10286021003745452 |
Syringaresinol, (+)-
|
443023 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
|
418.40 |
unknown |
https://doi.org/10.1080/10286021003745452 |
> Lignans, neolignans and related compounds / Lignan glycosides
|
2-[[7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
85129914 |
Click to see
CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
|
506.50 |
unknown |
https://doi.org/10.1080/10286021003745452 |
Aviculin
|
10391477 |
Click to see
CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
|
506.50 |
unknown |
https://doi.org/10.1080/10286021003745452 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
(2R,3R,4S,5R,6R)-2-[(E,2R)-4-[(1S,3S,5R,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
162958845 |
Click to see
CC(C=CC1C2(CC(CC1(OC2)C)O)C)OC3C(C(C(C(O3)CO)O)O)O
|
388.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(2R,3R,4S,5S,6R)-2-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
11461715 |
Click to see
CC(=CCCC(C)(C=C)O)COC1C(C(C(C(O1)CO)O)O)O
|
332.39 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(2R,3R,4S,5S,6R)-2-[(E,2R)-4-[(1R,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-1-hydroxybut-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
162936404 |
Click to see
CC1CC(CC(C1(C=CC(CO)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(2R,3R,4S,5S,6R)-2-[(E,2R)-4-[(1S,3S,5R,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
162958843 |
Click to see
CC(C=CC1C2(CC(CC1(OC2)C)O)C)OC3C(C(C(C(O3)CO)O)O)O
|
388.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(2R,3R,4S,5S,6R)-2-[(E,2S)-4-[(1R,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162969029 |
Click to see
CC1CC(CC(C1(C=CC(COC2C(C(C(C(O2)CO)O)O)O)O)O)(C)C)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(2R,3R,4S,5S,6R)-2-[(E,2S)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-1-hydroxybut-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
162936405 |
Click to see
CC1CC(CC(C1(C=CC(CO)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(2R,3R,4S,5S,6R)-2-[(E,2S)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162969030 |
Click to see
CC1CC(CC(C1(C=CC(COC2C(C(C(C(O2)CO)O)O)O)O)O)(C)C)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(4S,5R)-4-hydroxy-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
|
124576334 |
Click to see
CC1CC(=O)CC(C1(C=CC(CO)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C
|
404.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
(4S,5R)-4-hydroxy-4-[(E,3S)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
|
124404316 |
Click to see
CC1CC(=O)CC(C1(C=CC(CO)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C
|
404.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
2-(6-Hydroxy-2,6-dimethylocta-2,7-dienoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
|
72970728 |
Click to see
CC(=CCCC(C)(C=C)O)COC1C(C(C(C(O1)CO)O)O)O
|
332.39 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
|
4480898 |
Click to see
C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O
|
388.40 |
unknown |
https://doi.org/10.1080/10286021003745452 |
2-[4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)-1-hydroxybut-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
72782122 |
Click to see
CC1CC(CC(C1(C=CC(CO)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
2-[4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
72975916 |
Click to see
CC1CC(CC(C1(C=CC(COC2C(C(C(C(O2)CO)O)O)O)O)O)(C)C)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
2-[4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
73319510 |
Click to see
CC1CC(CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
|
390.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
2-[4-(3-Hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
85417632 |
Click to see
CC(C=CC1C2(CC(CC1(OC2)C)O)C)OC3C(C(C(C(O3)CO)O)O)O
|
388.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
4-Hydroxy-4-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
|
72975893 |
Click to see
CC1CC(=O)CC(C1(C=CC(CO)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C
|
404.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
Betulalbuside A
|
10382095 |
Click to see
CC(=CCCC(C)(C=C)O)COC1C(C(C(C(O1)CO)O)O)O
|
332.39 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
Tuberonic acid glucoside
|
5281204 |
Click to see
C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O
|
388.40 |
unknown |
https://doi.org/10.1080/10286021003745452 |
Turpinionoside B
|
101165165 |
Click to see
CC1CC(CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
|
390.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
1-Pentadecanol
|
12397 |
Click to see
CCCCCCCCCCCCCCCO
|
228.41 |
unknown |
https://doi.org/10.1080/10286021003745452 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
(2S,3aR,7aR)-4,4,7a-trimethyl-2-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3a,5,7-tetrahydro-2H-1-benzofuran-6-one
|
162906716 |
Click to see
CC(C1CC2C(CC(=O)CC2(O1)C)(C)C)OC3C(C(C(C(O3)CO)O)O)O
|
388.50 |
unknown |
https://doi.org/10.1080/10286021003745452 |
[(2S,3aR,4S,4'S,5'R,5aR,6R,8S,8aS,8bS)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3a,4-dihydroxy-5'-methyl-3,8-dioxospiro[5,5a,6,7,8a,8b-hexahydro-4H-thieno[3,2-g][1]benzofuran-2,2'-oxane]-4'-yl] 4-hydroxybenzoate
|
162887539 |
Click to see
CC1COC2(CC1OC(=O)C3=CC=C(C=C3)O)C(=O)C4(C(CC5C(CS(=O)C5C4O2)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O
|
806.80 |
unknown |
https://doi.org/10.1080/10286021003745452 |
[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3a,4-dihydroxy-5'-methyl-3,8-dioxospiro[5,5a,6,7,8a,8b-hexahydro-4H-thieno[3,2-g][1]benzofuran-2,2'-oxane]-4'-yl] 4-hydroxybenzoate
|
162887538 |
Click to see
CC1COC2(CC1OC(=O)C3=CC=C(C=C3)O)C(=O)C4(C(CC5C(CS(=O)C5C4O2)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O
|
806.80 |
unknown |
https://doi.org/10.1080/10286021003745452 |
4,4,7a-trimethyl-2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3a,5,7-tetrahydro-2H-1-benzofuran-6-one
|
162906715 |
Click to see
CC(C1CC2C(CC(=O)CC2(O1)C)(C)C)OC3C(C(C(C(O3)CO)O)O)O
|
388.50 |
unknown |
https://doi.org/10.1080/10286021003745452 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
|
11317861 |
Click to see
C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)O)COC(=O)C4=CC=CC=C4)O)O)O)CO
|
492.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
10002084 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O)O
|
418.40 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 4-hydroxybenzoate
|
11176815 |
Click to see
C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O)O
|
392.40 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
[3,4-Dihydroxy-5-[3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
|
72798898 |
Click to see
C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)O)COC(=O)C4=CC=CC=C4)O)O)O)CO
|
492.50 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
[3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
85088698 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O)O
|
418.40 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
[3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
|
24978602 |
Click to see
C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O
|
376.40 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
2-(Hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
|
346 |
Click to see
C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O
|
272.25 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
Arbutin
|
440936 |
Click to see
C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O
|
272.25 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
Flacourtoside A
|
21672233 |
Click to see
C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O
|
376.40 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
Robustaside A
|
26263971 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O)O
|
418.40 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
[(2S,3aR,4S,4'S,5'R,5aR,6R,8aS,8bS)-6-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4-dihydroxy-5'-methyl-3-oxospiro[5,5a,6,7,8a,8b-hexahydro-4H-thieno[3,2-g][1]benzofuran-2,2'-oxane]-4'-yl] 4-hydroxybenzoate
|
100992285 |
Click to see
CC1COC2(CC1OC(=O)C3=CC=C(C=C3)O)C(=O)C4(C(CC5C(CSC5C4O2)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)O)O
|
936.90 |
unknown |
https://doi.org/10.1021/JO00045A022 |
[(2S,3aR,4S,4'S,5'R,5aR,6R,8aS,8bS)-6-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4-dihydroxy-5'-methyl-3,8-dioxospiro[5,5a,6,7,8a,8b-hexahydro-4H-thieno[3,2-g][1]benzofuran-2,2'-oxane]-4'-yl] 4-hydroxybenzoate
|
101607123 |
Click to see
CC1COC2(CC1OC(=O)C3=CC=C(C=C3)O)C(=O)C4(C(CC5C(CS(=O)C5C4O2)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)O)O
|
952.90 |
unknown |
https://doi.org/10.1021/JO00045A022 |
> Organoheterocyclic compounds / Oxepanes
|
Xylarenal B
|
139588412 |
Click to see
CCCCCCCCCC(=O)OC1CCC(C2(C13C(O3)C(=O)C(C2)C(=C)C=O)C)C
|
418.60 |
unknown |
https://doi.org/10.1248/CPB.52.1086 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
5,4'-Dihydroxy-6,7-dimethoxyflavanone
|
14078484 |
Click to see
COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O)OC
|
316.30 |
unknown |
https://doi.org/10.1080/10286021003745452 |
6-Methoxysakuranetin
|
44412004 |
Click to see
COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O)OC
|
316.30 |
unknown |
https://doi.org/10.1080/10286021003745452 |