|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
|
Protocatechuic Acid
|
72 |
Click to see
|
154.12 |
unknown |
via CMAUP database |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
|
|
4,5,6-Trihydroxy-7-methylphthalide
|
10420195 |
Click to see
|
196.16 |
unknown |
via CMAUP database |
|
> Benzenoids / Phenols / Benzenetriols and derivatives / Pyrogallols and derivatives
|
|
Flavipin
|
3083587 |
Click to see
CC1=C(C(=C(C(=C1O)O)O)C=O)C=O
|
196.16 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Agarofurans
|
|
(7-Acetyloxy-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl) benzoate
|
13995948 |
Click to see
CC(=O)OC1CC2C(C3(C1(C(CCC3(C)O)OC(=O)C4=CC=CC=C4)C)OC2(C)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
(7,12-Diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl) benzoate
|
13995950 |
Click to see
|
474.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
(7,12-Diacetyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl) 3-phenylprop-2-enoate
|
162973141 |
Click to see
CC(=O)OC1CC2C(C3(C1(C(C(CC3(C)O)O)OC(=O)C=CC4=CC=CC=C4)C)OC2(C)C)OC(=O)C
|
516.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
(7,12-Diacetyloxy-2,8-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl) benzoate
|
13995956 |
Click to see
|
490.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
(7,8,12-Triacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl) benzoate
|
13995954 |
Click to see
|
532.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1R,2R,5R,6R,7R,8R,9S,12R)-7,8,12-triacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
163049259 |
Click to see
CC(=O)OC1C2C(C3(C(CCC(C3(C1OC(=O)C)C)OC(=O)C4=CC=CC=C4)(C)O)OC2(C)C)OC(=O)C
|
532.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1R,2S,5S,6S,7S,8S,9S,12R)-7,12-diacetyloxy-2,8-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
163064589 |
Click to see
|
490.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,4R,5R,6R,7S,9R,12R)-7,12-diacetyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] (E)-3-phenylprop-2-enoate
|
13995959 |
Click to see
|
516.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,4R,5R,6R,7S,9R,12S)-7-acetyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-5-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate
|
162856321 |
Click to see
|
579.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,5S,6S,7S,8S,9R,12R)-7-acetyloxy-5-benzoyloxy-2,8-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate
|
76316064 |
Click to see
|
553.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,5S,6S,7S,8S,9R,12R)-7,12-diacetyloxy-2,8-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
13995957 |
Click to see
|
490.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,5S,6S,7S,8S,9R,12R)-7,8,12-triacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
13995955 |
Click to see
|
532.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,5S,6S,7S,9R,12R)-7-acetyloxy-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
13995949 |
Click to see
|
432.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,5S,6S,7S,9R,12R)-7,12-diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
13995951 |
Click to see
|
474.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[(1S,2S,5S,6S,7S,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
13995953 |
Click to see
|
532.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
[7,12-Diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
13995952 |
Click to see
|
532.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
|
10-Hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
|
4274774 |
Click to see
|
450.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
2,3-Dihydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-5H-3,5a-methanochryseno[2,1-c]oxepine-12-carboxylic acid
|
3086227 |
Click to see
|
488.70 |
unknown |
https://doi.org/10.1021/JO00169A030 https://doi.org/10.1021/NP50043A021 |
|
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/10.1021/NP50043A021 |
|
Celastrol
|
122724 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
|
450.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 https://doi.org/10.1021/JO00169A030 |
|
D:A-Friedooleanan-29-oic acid, 3,24-epoxy-3-hydroxy-, (3beta,20alpha)-
|
122852 |
Click to see
|
472.70 |
unknown |
https://doi.org/10.1021/NP50043A021 |
|
Orthosphenic acid
|
20056194 |
Click to see
CC1C23CCC4C(C2CC(C1(OC3)O)O)(CCC5(C4(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C
|
488.70 |
unknown |
https://doi.org/10.1021/JO00169A030 https://doi.org/10.1021/NP50043A021 |
|
Paniculatadiol
|
101286253 |
Click to see
|
442.70 |
unknown |
https://doi.org/10.1021/NP50043A021 |
|
Pristimerin
|
159516 |
Click to see
|
464.60 |
unknown |
https://doi.org/10.1021/NP50066A028 |
|
Salaspermic Acid
|
44593364 |
Click to see
|
472.70 |
unknown |
https://doi.org/10.1021/NP50043A021 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 3-hydroxysteroids
|
|
dimethyl (2S,3S,4aR,6aS,14aS,14bS)-3,10-dihydroxy-2,6,6a,9,14a-pentamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2,4a-dicarboxylate
|
21636469 |
Click to see
CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(C(CC5(C1)C(=O)OC)O)(C)C(=O)OC)C)C)O)C
|
522.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
dimethyl 3,10-dihydroxy-2,6,6a,9,14a-pentamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2,4a-dicarboxylate
|
73817662 |
Click to see
|
522.60 |
unknown |
https://doi.org/10.1002/CHIN.198821298 https://doi.org/10.1016/0031-9422(88)83123-6 |
|
methyl (2S,3R,4aR,6aS,14aS,14bS)-3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate
|
21579199 |
Click to see
CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(C(C(=O)C5(C1)C)O)(C)C(=O)OC)C)C)O)C
|
492.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 https://doi.org/10.1016/S0040-4039(00)88088-0 https://doi.org/10.1021/NP50066A028 |
|
methyl (2S,3S,4aR,6aS,14aS,14bS)-3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate
|
163012526 |
Click to see
|
492.60 |
unknown |
https://doi.org/10.1016/S0040-4039(00)88088-0 |
|
methyl (2S,3S,4aS,6aS,14aS,14bS)-3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate
|
56841079 |
Click to see
CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(C(CC5(C1)C)O)(C)C(=O)OC)C)C)O)C
|
478.60 |
unknown |
https://doi.org/10.1002/CHIN.198821298 |
|
Methyl 3,10-dihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
|
188774 |
Click to see
|
478.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
Methyl 3,4,10-trihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
|
188775 |
Click to see
CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(C(C(C5(C1)C)O)O)(C)C(=O)OC)C)C)O)C
|
494.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
Netzahualcoyondiol
|
21579198 |
Click to see
CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(C(C(C5(C1)C)O)O)(C)C(=O)OC)C)C)O)C
|
494.60 |
unknown |
https://doi.org/10.1021/NP50066A028 https://doi.org/10.1002/CHIN.198821298 https://doi.org/10.1016/0031-9422(88)83123-6 |
|
Netzahualcoyone
|
163547 |
Click to see
|
492.60 |
unknown |
https://doi.org/10.1021/NP50066A028 https://doi.org/10.1016/S0040-4039(00)88088-0 https://doi.org/10.1016/0031-9422(88)83123-6 |
|
Netzahualcoyonol
|
21579197 |
Click to see
CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(C(CC5(C1)C)O)(C)C(=O)OC)C)C)O)C
|
478.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83123-6 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
12314479 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
via CMAUP database |
|
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
|
|
N-Caffeoyl-L-aspartic acid
|
23658567 |
Click to see
|
295.24 |
unknown |
via CMAUP database |
|
N-Coumaroyl-L-aspartic acid
|
68537088 |
Click to see
|
279.24 |
unknown |
via CMAUP database |
|
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
|
|
N-(E)-Caffeoyl-L-tyrosine
|
10308838 |
Click to see
C1=CC(=CC=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O
|
343.30 |
unknown |
via CMAUP database |
|
N-Coumaroyl-3-hydroxytyrosine
|
68540305 |
Click to see
C1=CC(=CC=C1C=CC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)O
|
343.30 |
unknown |
via CMAUP database |
|
N-p-Coumaroyltyrosine
|
15825666 |
Click to see
|
327.30 |
unknown |
via CMAUP database |
|
trans-Clovamide
|
6506968 |
Click to see
|
359.30 |
unknown |
via CMAUP database |
|
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
|
|
Choline
|
305 |
Click to see
|
104.17 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
|
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 |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
|
Verbascose
|
441434 |
Click to see
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OC5(C(C(C(O5)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O
|
828.70 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
|
|
GlyTouCan:G37030UD
|
90062900 |
Click to see
|
194.14 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
|
|
Epicoccolide A
|
71732639 |
Click to see
|
374.30 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
|
|
Caffeine
|
2519 |
Click to see
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
|
194.19 |
unknown |
via CMAUP database |
|
Theobromine
|
5429 |
Click to see
|
180.16 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Isocoumarans
|
|
4,6-Dihydroxy-5-methoxy-7-methyl-1,3-dihydroisobenzofuran
|
123784052 |
Click to see
|
196.20 |
unknown |
via CMAUP database |
|
7-Methyl-1,3-dihydro-2-benzofuran-4,5,6-triol
|
10845133 |
Click to see
|
182.17 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Naphthopyrans
|
|
Acetosellin
|
10883740 |
Click to see
|
394.40 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Tetrahydroisoquinolines
|
|
Salsolinol
|
91588 |
Click to see
|
179.22 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
|
Epicoccolide B
|
11210533 |
Click to see
|
358.30 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
|
(1S,5R,6R,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-21-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol
|
118731401 |
Click to see
|
738.60 |
unknown |
via CMAUP database |
|
Cinnamtannin A2
|
16130899 |
Click to see
|
1155.00 |
unknown |
via CMAUP database |
|
Cinnamtannin A3
|
16129741 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1443.30 |
unknown |
via CMAUP database |
|
Proanthocyanidin A1
|
9872976 |
Click to see
|
576.50 |
unknown |
via CMAUP database |
|
Procyanidin A2
|
124025 |
Click to see
C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O
|
576.50 |
unknown |
via CMAUP database |
|
Procyanidin B1
|
11250133 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
via CMAUP database |
|
Procyanidin B2, (+)-
|
122738 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
via CMAUP database |
|
Procyanidin B5
|
124017 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
via CMAUP database |
|
Procyanidin C1
|
169853 |
Click to see
|
866.80 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
|
8,8'-Methylenebiscatechin
|
46182787 |
Click to see
|
592.50 |
unknown |
via CMAUP database |
|
Catechin
|
9064 |
Click to see
|
290.27 |
unknown |
via CMAUP database |
|
Epicatechin
|
72276 |
Click to see
|
290.27 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
|
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Cyanidin 3-O-galactoside
|
441699 |
Click to see
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
|
449.40 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
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(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
5317057 |
Click to see
|
452.40 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
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Cyanidin 3-arabinoside cation
|
12137509 |
Click to see
C1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O
|
419.40 |
unknown |
via CMAUP database |
|
Guaijaverin
|
5481224 |
Click to see
|
434.30 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Macrolides and analogues
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|
Orthosphenine
|
76316479 |
Click to see
|
760.70 |
unknown |
https://doi.org/10.1021/NP50066A028 |