> 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 |
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
CC1=C2C(=C(C(=C1O)O)O)COC2=O
|
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 / Diterpenoids / Aconitane-type diterpenoid alkaloids
|
[8-Acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
|
4481790 |
Click to see
CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=C(C=C7)OC)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
|
675.80 |
unknown |
https://doi.org/10.1002/JLAC.19294760110 |
Diesaconitine
|
76963334 |
Click to see
CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=C(C=C7)OC)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
|
675.80 |
unknown |
https://doi.org/10.1002/JLAC.19294760110 |
Jesaconitine
|
441741 |
Click to see
CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=C(C=C7)OC)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
|
675.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Villanovane, atisane, trachylobane or helvifulvane diterpenoids / Atisane diterpenoids / Hetisine-type diterpenoid alkaloids
|
(1S,5R,8R,9S,11R,13R,14R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
|
162907667 |
Click to see
CC12CCCC34C1C5CC67C3C(C(CC6C4N5C2)C(=C)C7O)O
|
313.40 |
unknown |
https://doi.org/10.1002/JLAC.19405450121 |
(1S,5S,8R,9S,11R,13R,14R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
|
101306750 |
Click to see
CC12CCCC34C1C5CC67C3C(C(CC6C4N5C2)C(=C)C7O)O
|
313.40 |
unknown |
https://doi.org/10.1002/JLAC.19405450121 |
CID 494479
|
494479 |
Click to see
CC12CCCC34C1C5CC67C3C(C(CC6C4N5C2)C(=C)C7O)O
|
313.40 |
unknown |
https://doi.org/10.1002/JLAC.19405450121 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
|
1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethylnaphthalene-2-methanol
|
146808 |
Click to see
CC1CCC=C2C1(CC(CC2)C(C)(C)O)C
|
222.37 |
unknown |
via CMAUP database |
> 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
C1=CC(=C(C=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O)O
|
295.24 |
unknown |
via CMAUP database |
N-Coumaroyl-L-aspartic acid
|
68537088 |
Click to see
C1=CC(=CC=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O
|
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
C1=CC(=CC=C1CC(C(=O)O)NC(=O)C=CC2=CC=C(C=C2)O)O
|
327.30 |
unknown |
via CMAUP database |
trans-Clovamide
|
6506968 |
Click to see
C1=CC(=C(C=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
359.30 |
unknown |
via CMAUP database |
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
|
Choline
|
305 |
Click to see
C[N+](C)(C)CCO
|
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
|
(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
|
90062900 |
Click to see
C1(C(C(OC(C1O)O)C(=O)O)O)O
|
194.14 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
|
Epicoccolide A
|
71732639 |
Click to see
CC1=C(C2=C(C(=C1O)O)OC3C4=C(C(=C(C(=C4C(=O)C2O3)C)O)O)O)C=O
|
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
CN1C=NC2=C1C(=O)NC(=O)N2C
|
180.16 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Isocoumarans
|
4,6-Dihydroxy-5-methoxy-7-methyl-1,3-dihydroisobenzofuran
|
123784052 |
Click to see
CC1=C2COCC2=C(C(=C1O)OC)O
|
196.20 |
unknown |
via CMAUP database |
7-Methyl-1,3-dihydro-2-benzofuran-4,5,6-triol
|
10845133 |
Click to see
CC1=C2COCC2=C(C(=C1O)O)O
|
182.17 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Naphthopyrans
|
Acetosellin
|
10883740 |
Click to see
CC=CC=CC=CC1=CC(=C2C3=C1C4=C(COC(C4)CO)C(=O)C3(OC2=O)C)O
|
394.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Tetrahydroisoquinolines
|
Salsolinol
|
91588 |
Click to see
CC1C2=CC(=C(C=C2CCN1)O)O
|
179.22 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
Epicoccolide B
|
11210533 |
Click to see
CC1=C(C2=C(C(=C1O)O)OC(=C2)C3=C(C(=C(C(=C3C=O)O)O)O)C)C=O
|
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
C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C8=CC(=C(C=C8)O)O)O
|
738.60 |
unknown |
via CMAUP database |
Cinnamtannin A2
|
16130899 |
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=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)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
|
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
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 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
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
866.80 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
8,8'-Methylenebiscatechin
|
46182787 |
Click to see
C1C(C(OC2=C1C(=CC(=C2CC3=C(C=C(C4=C3OC(C(C4)O)C5=CC(=C(C=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
592.50 |
unknown |
via CMAUP database |
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
via CMAUP database |
Epicatechin
|
72276 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
|
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
|
Epicatechin 8-C-beta-D-galactopyranoside
|
5317057 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(C(C(O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O
|
452.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
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
C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
434.30 |
unknown |
via CMAUP database |