> Benzenoids / Phenols / Methoxyphenols
|
4-Amino-3-methoxyphenol
|
19818056 |
Click to see
COC1=C(C=CC(=C1)O)N
|
139.15 |
unknown |
via CMAUP database |
N-Trans-feruloyltramine
|
5280537 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
|
313.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
(6'S)-beta,epsilon-carotene
|
6419724 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
536.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Acetobetulinic acid
|
10300534 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)O
|
498.70 |
unknown |
via CMAUP database |
Diosgenin
|
99474 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
|
414.60 |
unknown |
via CMAUP database |
Tigogenin
|
99516 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
|
416.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 3-hydroxysteroids / 3-beta-hydroxysteroids
|
(1R,2S,4S,6R,7S,8R,9S,10R,12S,13R,16S)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10,16-diol
|
46833330 |
Click to see
CC1C2C(CC3C2(C(CC4C3CC=C5C4(CCC(C5)O)C)O)C)OC16CCCCO6
|
416.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Physalins and derivatives
|
(1R,2R,4R,5R,8S,11R,13S,14S,15R,16S,19S,22S,23R,25S)-2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.15,14.15,15.01,23.04,22.08,13.011,16.015,19]hentriacont-28-ene-9,18,24,31-tetrone
|
21633629 |
Click to see
CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C89C=CC(C(=O)C8(C7CCC6(C(=O)O4)O)C)OO9)O)OCC2C(=O)O3)C
|
558.50 |
unknown |
via CMAUP database |
(1R,2S,5S,8S,9S,14R,15R,17R,18R,21S,24R,26S,27S)-14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
|
10769263 |
Click to see
CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)Cl)O)OCC2C(=O)O3)C
|
563.00 |
unknown |
via CMAUP database |
5,6-Epxoyphysalin B
|
49864133 |
Click to see
CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C
|
526.50 |
unknown |
via CMAUP database |
Physalin G
|
56683730 |
Click to see
CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8=CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)O)OCC2C(=O)O3)C
|
526.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Solanidines and derivatives
|
Solanidine
|
65727 |
Click to see
CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C
|
397.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Spirosolanes and derivatives
|
(1R,2S,3'R,4S,6R,7S,8R,9S,10R,12S,13R,16S)-10,16-dihydroxy-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-piperidine]-3'-carboxylic acid
|
21573758 |
Click to see
CC1C2C(CC3C2(C(CC4C3CC=C5C4(CCC(C5)O)C)O)C)OC16CCC(CN6)C(=O)O
|
459.60 |
unknown |
via CMAUP database |
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-10,16-diol
|
21573757 |
Click to see
CC1C2C(CC3C2(C(CC4C3CC=C5C4(CCC(C5)O)C)O)C)OC16CCC(CN6)CO
|
445.60 |
unknown |
via CMAUP database |
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-10,16-diol
|
21573755 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CC=C6C5(CCC(C6)O)C)O)C)C)NC1
|
429.60 |
unknown |
via CMAUP database |
N-Methylsolasodine
|
21573751 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)N(C1)C
|
427.70 |
unknown |
via CMAUP database |
Solasodine
|
442985 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
|
413.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-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
|
21573761 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)O)C)C)NC1
|
900.10 |
unknown |
via CMAUP database |
CID 21573759
|
21573759 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1
|
721.90 |
unknown |
via CMAUP database |
Degalactotigonin
|
162401 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1
|
1035.20 |
unknown |
via CMAUP database |
Nigrumnin I
|
10820113 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1
|
1151.30 |
unknown |
via CMAUP database |
nigrumnin II
|
10630134 |
Click to see
CC1CCC2(C(C3(C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)O)C)OC1
|
1181.30 |
unknown |
via CMAUP database |
Solamargine
|
73611 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
|
868.10 |
unknown |
via CMAUP database |
Solanigroside C
|
16083118 |
Click to see
CC1CC(C2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)O)C)OC1=O)O
|
1111.20 |
unknown |
via CMAUP database |
Solanigroside D
|
16083121 |
Click to see
CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1=O)O
|
1181.30 |
unknown |
via CMAUP database |
Solanigroside E
|
16083119 |
Click to see
CC1CC(C2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)O)C)OC1=O)O
|
1197.30 |
unknown |
via CMAUP database |
Solanigroside G
|
16083120 |
Click to see
CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)O)C)OC1
|
1051.20 |
unknown |
via CMAUP database |
Solanigroside H
|
16083123 |
Click to see
CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)O)C)OC1
|
1047.20 |
unknown |
via CMAUP database |
Solasonine
|
119247 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
|
884.10 |
unknown |
via CMAUP database |
Uttronin B
|
102058012 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1
|
722.90 |
unknown |
via CMAUP database |
Uttroside B
|
44566638 |
Click to see
CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
|
1215.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
|
2-Azaniumylacetate
|
5257127 |
Click to see
C(C(=O)[O-])[NH3+]
|
75.07 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
|
9476 |
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 / Alcohols and polyols / Secondary alcohols / Cyclohexanols
|
Sequoyitol
|
439990 |
Click to see
COC1C(C(C(C(C1O)O)O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/0031-9422(88)80633-2 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
Qui3Me(b1-4)Oli3Me(a)-O-Et
|
101490302 |
Click to see
CCOC1CC(C(C(O1)C)OC2C(C(C(C(O2)C)O)OC)O)OC
|
350.40 |
unknown |
via CMAUP database |
Qui3Me(b1-4)Oli3Me(b)-O-Et
|
101490301 |
Click to see
CCOC1CC(C(C(O1)C)OC2C(C(C(C(O2)C)O)OC)O)OC
|
350.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
|
2-(1H-Indol-3-yl)ethyl acetate
|
588705 |
Click to see
CC(=O)OCCC1=CNC2=CC=CC=C21
|
203.24 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Naphthopyrans
|
(1S,2R,4R,5R,10S,12S,14R,15R,18R)-5-[(2R)-1-hydroxypropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
|
162953324 |
Click to see
CC(CO)C1C23C(O2)C4C5C(C3=CC(=O)O1)(CC6C(C5(C(=O)O4)C)O6)C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
(1S,2R,4R,5R,12S,14R,15R,18R)-5-ethenyl-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
|
163185130 |
Click to see
CC12CC3C(O3)C4(C1C(C5C6(C2=CC(=O)OC6C=C)O5)OC4=O)C
|
330.30 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
(1S,2R,4R,5S,6R,9S,10R,17R)-5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
|
157800053 |
Click to see
CC(C)C1=C2C(C3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
(1S,2R,5S,6R,9S,10R,17R)-5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
|
163186005 |
Click to see
CC(C)C1=C2C(C3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
Nagilactone C
|
72505 |
Click to see
CC(C)C1=C2C(C3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
Sellowin A
|
73589 |
Click to see
CC(CO)C1C23C(O2)C4C5C(C3=CC(=O)O1)(CC6C(C5(C(=O)O4)C)O6)C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
Sellowin B
|
162849799 |
Click to see
CC12CC3C(O3)C4(C1C(C5C6(C2=CC(=O)OC6C=C)O5)OC4=O)C
|
330.30 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
Sellowin C
|
163016477 |
Click to see
CC(C)C1=C2C(C3C4C(C2=CC(=O)O1)(CCC(C4(C(=O)O3)C)O)C)O
|
348.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80185-5 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
4-Hydroxy-3-methoxycinnamic Acid Ethyl Ester
|
65133 |
Click to see
CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
|
222.24 |
unknown |
via CMAUP database |
Ethyl caffeate
|
5317238 |
Click to see
CCOC(=O)C=CC1=CC(=C(C=C1)O)O
|
208.21 |
unknown |
via CMAUP database |
Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
159894 |
Click to see
COC1=CC(=CC(=C1O)OC)C=CC(=O)OC
|
238.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
3,4-Dihydroxy cinnamic acid
|
2518 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)O
|
180.16 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
|
[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
|
101243377 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C(=C6)OC)O)O)O)O)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O
|
933.80 |
unknown |
via CMAUP database |