> Alkaloids and derivatives / Aporphines
|
(+)-Thaliporphine
|
6992288 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)O)OC
|
341.40 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00630564 |
(R)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline
|
1078819 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
|
355.40 |
unknown |
https://doi.org/10.1007/BF00630681 |
2,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
|
100020 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)O)OC
|
341.40 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00631015 |
Artabotrine
|
48704 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
|
341.40 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00629649 |
Glaucine
|
16754 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
|
355.40 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00630681 https://doi.org/10.1007/BF00631016 https://doi.org/10.1007/BF00631015 https://doi.org/10.1007/BF00630556 |
Isoboldine
|
133323 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
|
327.40 |
unknown |
https://doi.org/10.1007/BF00631016 |
Isocorydine
|
10143 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
|
341.40 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00631016 https://doi.org/10.1007/BF00630564 |
Magnoflorine
|
73337 |
Click to see
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
|
342.40 |
unknown |
https://doi.org/10.1007/BF00630681 https://doi.org/10.1007/BF01134625 https://doi.org/10.1007/BF00630556 |
> Alkaloids and derivatives / Protoberberine alkaloids and derivatives
|
(14S)-16,17-dimethoxy-14-(trichloromethyl)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
|
92170520 |
Click to see
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC
|
454.70 |
unknown |
https://doi.org/10.1007/BF01374020 |
(8S)-2,3,9,10-tetramethoxy-8-(trichloromethyl)-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline
|
163070972 |
Click to see
COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2C(Cl)(Cl)Cl)OC)OC)OC
|
470.80 |
unknown |
https://doi.org/10.1007/BF01374020 |
2,3,9,10-tetramethoxy-8-(trichloromethyl)-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline
|
5250176 |
Click to see
COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2C(Cl)(Cl)Cl)OC)OC)OC
|
470.80 |
unknown |
https://doi.org/10.1007/BF01374020 |
8-Trichloromethyldihydroberberine
|
320713 |
Click to see
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC
|
454.70 |
unknown |
https://doi.org/10.1007/BF01374020 |
Berberine
|
2353 |
Click to see
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
|
336.40 |
unknown |
https://doi.org/10.1007/BF00630681 https://doi.org/10.1007/BF01134625 https://doi.org/10.1007/BF00568218 https://doi.org/10.1023/B:CONC.0000003429.41497.B6 https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00630556 |
Palmatine
|
19009 |
Click to see
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
|
352.40 |
unknown |
https://doi.org/10.1007/BF00629649 |
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
(e)-4-(3,4-Dimethoxy-phenyl)but-3-en-1-yl palmitate
|
21668972 |
Click to see
CCCCCCCCCCCCCCCC(=O)OCCC=CC1=CC(=C(C=C1)OC)OC
|
446.70 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds
|
(-)-Repandine
|
10031631 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC
|
608.70 |
unknown |
via CMAUP database |
(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
|
5320345 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC
|
608.70 |
unknown |
https://doi.org/10.1007/BF00630681 https://doi.org/10.1007/BF00629649 |
6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol
|
10170 |
Click to see
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
|
608.70 |
unknown |
https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF01374020 |
Berbamine
|
275182 |
Click to see
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
|
608.70 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00630564 https://doi.org/10.1023/B:CONC.0000003429.41497.B6 https://doi.org/10.1007/BF00629649 |
CID 12300053
|
12300053 |
Click to see
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
|
608.70 |
unknown |
https://doi.org/10.1007/BF01134625 https://doi.org/10.1007/BF00629649 |
Obaberine
|
100231 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC
|
622.70 |
unknown |
https://doi.org/10.1007/BF00630564 |
Oxyacanthine
|
442333 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC
|
608.70 |
unknown |
https://doi.org/10.1007/BF00566827 https://doi.org/10.1023/B:CONC.0000003429.41497.B6 https://doi.org/10.1007/BF01134625 https://doi.org/10.1007/BF00630681 https://doi.org/10.1007/BF00630556 https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00631016 https://doi.org/10.1007/BF00631015 |
Oxycanthine
|
371257 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC
|
608.70 |
unknown |
https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00566827 https://doi.org/10.1007/BF00630681 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
|
Excisanin H
|
10066342 |
Click to see
CC1(CCC(C23C1CC(C45C2CCC(C4(OC3)O)C(=C)C5=O)O)O)C
|
348.40 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00630681 https://doi.org/10.1007/BF00630556 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
Citral
|
638011 |
Click to see
CC(=CCCC(=CC=O)C)C
|
152.23 |
unknown |
via CMAUP database |
Geraniol
|
637566 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids / Simple glycosylceramides / Glycosyl-N-acylsphingosines
|
(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]tetradecanamide
|
10818374 |
Click to see
CCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O
|
686.00 |
unknown |
via CMAUP database |
(2S,3R,4E,8E)-1-(beta-D-Glucopyranosyloxy)-2-[[(2R)-2-hydroxypentadecanoyl]amino]-4,8-octadecadiene-3-ol
|
10628502 |
Click to see
CCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O
|
700.00 |
unknown |
via CMAUP database |
1-O-beta-D-Glucopyranosyl-N-[(2R)-2-hydroxypalmitoyl]sphingosine
|
101948670 |
Click to see
CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O)O
|
716.00 |
unknown |
via CMAUP database |
Soyacerebroside I
|
11104507 |
Click to see
CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O
|
714.00 |
unknown |
via CMAUP database |
Soyacerebroside II
|
15599558 |
Click to see
CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O
|
714.00 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
|
(1R,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,19-triol
|
59052452 |
Click to see
CC1C2C(CC3C2(CCC4C3CC(C5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
|
1277.40 |
unknown |
via CMAUP database |
(1R,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18S,19R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,19-triol
|
101584207 |
Click to see
CC1C2C(CC3C2(CCC4C3CC(C5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
|
1277.40 |
unknown |
via CMAUP database |
(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol
|
59052451 |
Click to see
CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
|
1277.40 |
unknown |
via CMAUP database |
(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol
|
59052312 |
Click to see
CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
|
1439.50 |
unknown |
via CMAUP database |
(1S,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol
|
101584206 |
Click to see
CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
|
1277.40 |
unknown |
via CMAUP database |
(1S,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol
|
101584205 |
Click to see
CC1C2C(CC3C2(CCC4C3CCC5(C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)O)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
|
1439.50 |
unknown |
via CMAUP database |
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
13787750 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(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)O)C)C)OC1
|
1081.20 |
unknown |
via CMAUP database |
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
101932450 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(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)O)C)C)C)OC1
|
1081.20 |
unknown |
via CMAUP database |
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
101826551 |
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)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1
|
1197.30 |
unknown |
via CMAUP database |
> Nucleosides, nucleotides, and analogues / Purine nucleosides
|
Adenosine
|
60961 |
Click to see
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
|
267.24 |
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 / L-alpha-amino acids
|
(2R)-2-amino-3-[(R)-prop-2-enylsulfinyl]propanoic acid
|
51399534 |
Click to see
C=CCS(=O)CC(C(=O)O)N
|
177.22 |
unknown |
via CMAUP database |
(2R)-2-ammonio-3-(methylselanyl)propanoate
|
45266674 |
Click to see
C[Se]CC(C(=O)[O-])[NH3+]
|
182.09 |
unknown |
via CMAUP database |
(2R)-2-azaniumyl-3-[(S)-methylsulfinyl]propanoate
|
40528043 |
Click to see
CS(=O)CC(C(=O)[O-])[NH3+]
|
151.19 |
unknown |
via CMAUP database |
L-selenomethionine
|
105024 |
Click to see
C[Se]CCC(C(=O)O)N
|
196.12 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
|
gamma-Glutamylphenylalanine
|
111299 |
Click to see
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
294.30 |
unknown |
via CMAUP database |
Phenylalanine
|
6140 |
Click to see
C1=CC=C(C=C1)CC(C(=O)O)N
|
165.19 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives / L-cysteine-S-conjugates
|
(2R)-2-azaniumyl-3-[(prop-2-en-1-yl)sulfanyl]propanoate
|
40424388 |
Click to see
C=CCSCC(C(=O)[O-])[NH3+]
|
161.22 |
unknown |
via CMAUP database |
(2R)-2-azaniumyl-3-propylsulfanylpropanoate
|
40565896 |
Click to see
CCCSCC(C(=O)[O-])[NH3+]
|
163.24 |
unknown |
via CMAUP database |
s-Allylmercaptocysteine
|
9794159 |
Click to see
C=CCSSCC(C(=O)O)N
|
193.30 |
unknown |
via CMAUP database |
S-Methylthiocysteine
|
3080775 |
Click to see
CSSCC(C(=O)O)N
|
167.30 |
unknown |
via CMAUP database |
S-trans-1-propenyl-L-cysteine
|
91820358 |
Click to see
CC=CSCC(C(=O)[O-])[NH3+]
|
161.22 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Dipeptides
|
gamma-GLUTAMYL-S-ALLYLCYSTEINE
|
11346811 |
Click to see
C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
290.34 |
unknown |
via CMAUP database |
gamma-glutamyl-S-allylmercaptocysteine
|
101630431 |
Click to see
C=CCSSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
322.40 |
unknown |
via CMAUP database |
gamma-glutamyl-S-propyl cysteine
|
54090099 |
Click to see
CCCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
292.35 |
unknown |
via CMAUP database |
Methylseleno carboxyethylglutamine
|
20807051 |
Click to see
C[Se]CC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
311.20 |
unknown |
via CMAUP database |
Methylseleno carboxypropylglutamine
|
16128830 |
Click to see
C[Se]CCC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
325.23 |
unknown |
via CMAUP database |
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine
|
87289205 |
Click to see
CC=CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
290.34 |
unknown |
via CMAUP database |
N5-((R)-1-Carboxy-3-(methylthio)propyl)-L-glutamine
|
87315837 |
Click to see
CSCCC(C(=O)O)NC(=O)CCC(C(=O)O)N
|
278.33 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Organic sulfuric acids and derivatives / Sulfuric acid esters / Sulfuric acid diesters
|
(E)-2-Propenyl (3-(2-propenylthio)-2-propenyl) sulfate
|
10977885 |
Click to see
C=CCOS(=O)(=O)OCC=CSCC=C
|
250.30 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Organic thiosulfuric acids and derivatives / S-alkyl thiosulfates
|
3-Sulfonatosulfanylprop-1-ene
|
59479946 |
Click to see
C=CCSS(=O)(=O)[O-]
|
153.20 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Thiosulfinic acid esters
|
3-[(S)-prop-2-enylsulfinyl]sulfanylprop-1-ene
|
51380898 |
Click to see
C=CCSS(=O)CC=C
|
162.30 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
|
Allyl alcohol
|
7858 |
Click to see
C=CCO
|
58.08 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
Eugenol gentiobioside
|
10390778 |
Click to see
COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
|
488.50 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
|
Valeraldehyde
|
8063 |
Click to see
CCCCC=O
|
86.13 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
|
(E)-3-(prop-2-enyldisulfanyl)prop-2-enal
|
5317516 |
Click to see
C=CCSSC=CC=O
|
160.30 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Enols
|
Propen-2-ol
|
141483 |
Click to see
CC(=C)O
|
58.08 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Ethers / Diarylethers
|
(1S,13R)-19,20,24-trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.23,6.28,11.113,17.026,30.021,32]hexatriaconta-3(36),4,6(35),8(34),9,11(33),17,19,21(32),23,25,30-dodecaene
|
163042492 |
Click to see
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=CC=C(CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)C=C5)OC
|
592.70 |
unknown |
https://doi.org/10.1007/BF00566827 |
19,20,24-Trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.23,6.28,11.113,17.026,30.021,32]hexatriaconta-3(36),4,6(35),8(34),9,11(33),17,19,21(32),23,25,30-dodecaene
|
163042491 |
Click to see
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=CC=C(CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)C=C5)OC
|
592.70 |
unknown |
https://doi.org/10.1007/BF00566827 |
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Aminopyrimidines and derivatives
|
Allithiamine
|
3037212 |
Click to see
CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC=C)C
|
354.50 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
|
2(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)-
|
10131246 |
Click to see
C1=C(C(=CBr)OC1=O)Br
|
253.88 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Dithioles / 1,2-dithioles
|
4-Methyl-1,2-dithiacyclopentene
|
5319597 |
Click to see
CC1=CSSC1
|
118.20 |
unknown |
via CMAUP database |
5-methyl-3H-dithiole
|
5319596 |
Click to see
CC1=CCSS1
|
118.20 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines
|
(+/-)-Armepavine
|
98348 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
|
313.40 |
unknown |
https://doi.org/10.1007/BF01374020 |
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
|
173713 |
Click to see
C[N+]1(CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C
|
314.40 |
unknown |
https://doi.org/10.1007/BF00570225 |
(R)-Reticuline
|
440586 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1007/BF00629649 |
2-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
|
1377255 |
Click to see
COC1=C(C=C(C=C1)CN2CCC3=CC(=C(C=C3C2)OC)OC)OC
|
343.40 |
unknown |
https://doi.org/10.1007/BF00631020 https://doi.org/10.1007/BF00631016 |
3,4-Dimethoxy-2-[(5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methyl]benzoic acid
|
21769964 |
Click to see
COC1=C(C(=C(C=C1)C(=O)O)CN2CCC3=CC4=C(C=C3C2=O)OCO4)OC
|
385.40 |
unknown |
https://doi.org/10.1007/BF00631015 |
Armepavine
|
442169 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
|
313.40 |
unknown |
https://doi.org/10.1007/BF01374020 https://doi.org/10.1007/BF00631016 https://doi.org/10.1007/BF00631020 |
Reticulin
|
10233 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00631016 |
Reticuline
|
439653 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00631020 https://doi.org/10.1007/BF00631016 https://doi.org/10.1007/BF00630564 |
> Organoheterocyclic compounds / Isoquinolines and derivatives / Isoquinolones and derivatives
|
2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
|
10065647 |
Click to see
COC1=C(C2=CN3CCC4=CC(=O)C(=CC4=C3C=C2C=C1)OC)OC
|
337.40 |
unknown |
https://doi.org/10.1007/BF00629649 https://doi.org/10.1007/BF00630564 |
6-(6,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
|
322371 |
Click to see
COC1=C(C2=C(C=C1)C(=O)OC2N3CCC4=CC5=C(C=C4C3=O)OCO5)OC
|
383.40 |
unknown |
https://doi.org/10.1007/BF00629649 |
6-[(1S)-6,7-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
|
163022273 |
Click to see
COC1=C(C2=C(C=C1)C(=O)OC2N3CCC4=CC5=C(C=C4C3=O)OCO5)OC
|
383.40 |
unknown |
https://doi.org/10.1007/BF00629649 |
Corydaldine
|
610097 |
Click to see
COC1=C(C=C2C(=C1)CCNC2=O)OC
|
207.23 |
unknown |
https://doi.org/10.1021/NP50022A001 |
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
|
Allixin
|
86374 |
Click to see
CCCCCC1=C(C(=O)C(=C(O1)C)OC)O
|
226.27 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Tetrahydroisoquinolines
|
2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
|
751377 |
Click to see
COC1=C(C=C2CN(CCC2=C1)CC3=CC4=C(C=C3)OCO4)OC
|
327.40 |
unknown |
https://doi.org/10.1007/BF00631020 https://doi.org/10.1007/BF00631016 |
6-hydroxy-7-methoxy-N-methyl-3,4-dihydroisoquinoline
|
2752173 |
Click to see
CN1CCC2=CC(=C(C=C2C1)OC)O
|
193.24 |
unknown |
https://doi.org/10.1007/BF00566827 |
Heliamine
|
15623 |
Click to see
COC1=C(C=C2CNCCC2=C1)OC
|
193.24 |
unknown |
https://doi.org/10.1007/BF00631016 |
> Organosulfur compounds / Allyl sulfur compounds
|
(E)-1-Propenyl 2-propenyl disulfide
|
5352907 |
Click to see
CC=CSSCC=C
|
146.30 |
unknown |
via CMAUP database |
Allyl methyl disulfide
|
62434 |
Click to see
CSSCC=C
|
120.20 |
unknown |
via CMAUP database |
Allyl methyl sulfide
|
66282 |
Click to see
CSCC=C
|
88.17 |
unknown |
via CMAUP database |
Allyl methyl tetrasulfide
|
525329 |
Click to see
CSSSSCC=C
|
184.40 |
unknown |
via CMAUP database |
Allyl prop-1-enyl disulfide
|
5352855 |
Click to see
CC=CSSCC=C
|
146.30 |
unknown |
via CMAUP database |
Allyl propyl disulfide
|
16591 |
Click to see
CCCSSCC=C
|
148.30 |
unknown |
via CMAUP database |
Diallyl disulfide
|
16590 |
Click to see
C=CCSSCC=C
|
146.30 |
unknown |
via CMAUP database |
Diallyl sulfide
|
11617 |
Click to see
C=CCSCC=C
|
114.21 |
unknown |
via CMAUP database |
Diallyl tetrasulfide
|
75552 |
Click to see
C=CCSSSSCC=C
|
210.40 |
unknown |
via CMAUP database |
Methyl 2-propenyl pentasulfide
|
528713 |
Click to see
CSSSSSCC=C
|
216.40 |
unknown |
via CMAUP database |
> Organosulfur compounds / Organic disulfides / Dialkyldisulfides
|
Dimethyl Disulfide
|
12232 |
Click to see
CSSC
|
94.20 |
unknown |
via CMAUP database |
Dipropyl disulfide
|
12377 |
Click to see
CCCSSCCC
|
150.30 |
unknown |
via CMAUP database |
Methyl propyl disulfide
|
16592 |
Click to see
CCCSSC
|
122.30 |
unknown |
via CMAUP database |
> Organosulfur compounds / Organic trisulfides
|
6-ethenyl-4H-trithiine
|
5315241 |
Click to see
C=CC1=CCSSS1
|
162.30 |
unknown |
via CMAUP database |
Allyl methyl trisulfide
|
61926 |
Click to see
CSSSCC=C
|
152.30 |
unknown |
via CMAUP database |
Diallyl trisulfide
|
16315 |
Click to see
C=CCSSSCC=C
|
178.30 |
unknown |
via CMAUP database |
Dimethyl trisulfide
|
19310 |
Click to see
CSSSC
|
126.30 |
unknown |
via CMAUP database |
Methyl propyl trisulfide
|
5319765 |
Click to see
CCCSSSC
|
154.30 |
unknown |
via CMAUP database |
> Organosulfur compounds / Sulfonyls
|
S-2-Propenyl 2-propene-1-sulfonothioate
|
85776791 |
Click to see
C=CCSS(=O)(=O)CC=C
|
178.30 |
unknown |
via CMAUP database |
> Organosulfur compounds / Sulfonyls / Sulfones
|
(E)-3-(prop-2-enyldisulfanyl)-1-prop-2-enylsulfonylprop-1-ene
|
5322033 |
Click to see
C=CCSSCC=CS(=O)(=O)CC=C
|
250.40 |
unknown |
via CMAUP database |
> Organosulfur compounds / Sulfoxides
|
(E)-1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene
|
76962524 |
Click to see
C=CCSSC=CCS(=O)CC=C
|
234.40 |
unknown |
via CMAUP database |
(Z)-1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene
|
76960957 |
Click to see
C=CCSSC=CCS(=O)CC=C
|
234.40 |
unknown |
via CMAUP database |
> Organosulfur compounds / Thioacetals / Dithioacetals
|
1,3-Dithiole
|
5316944 |
Click to see
C1SC=CS1
|
104.20 |
unknown |
via CMAUP database |
> Organosulfur compounds / Thioethers / Dialkylthioethers
|
Dimethyl sulfide
|
1068 |
Click to see
CSC
|
62.14 |
unknown |
via CMAUP database |
> Organosulfur compounds / Thioethers / Thioenol ethers
|
Divinyl sulfide
|
12321 |
Click to see
C=CSC=C
|
86.16 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Anthracyclines
|
(1S,11R,12R,13R,21S,22S,23R,24S)-13-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-23-(dimethylamino)-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione
|
139587745 |
Click to see
CC1C(C(C(C(O1)OC2C(C(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC6=C5OC7C(C(C(C6(O7)C)O)N(C)C)O)(C)O)OC)OC)(C)O)O
|
715.70 |
unknown |
https://doi.org/10.1007/BF00629649 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
delphinidin 3-O-beta-D-glucoside betaine
|
165559 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=O)C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1007/BF00579163 |