> Alkaloids and derivatives / Indolonaphthyridine alkaloids
|
10-Hydroxycanthin-6-one
|
158929 |
Click to see
C1=CC2=C(C=C1O)C3=C4N2C(=O)C=CC4=NC=C3
|
236.22 |
unknown |
via CMAUP database |
3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 10-hydroxy-3-methoxy-
|
158930 |
Click to see
CON1C2=C3C(=CC1=O)C4=C(N3C(=O)C=C2)C=CC(=C4)O
|
282.25 |
unknown |
via CMAUP database |
3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 3-methoxy-
|
156537 |
Click to see
CON1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2
|
266.25 |
unknown |
via CMAUP database |
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-
|
158928 |
Click to see
COC1=CC2=C(C=C1)N3C(=O)C=CC4=NC=CC2=C43
|
250.25 |
unknown |
https://doi.org/10.1021/NP50026A016 |
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-
|
6455362 |
Click to see
C1=CC2=C(C(=C1)O)N3C(=O)C=CC4=NC=CC2=C43
|
236.22 |
unknown |
https://doi.org/10.1055/S-2007-969512 |
9-Hydroxycanthin-6-one
|
10263500 |
Click to see
C1=CC2=C3C=CNC4=C3N(C2=CC1=O)C(=O)C=C4
|
236.22 |
unknown |
https://doi.org/10.1021/NP50026A016 |
9-Methoxycanthin-6-one
|
9881423 |
Click to see
COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
|
250.25 |
unknown |
https://doi.org/10.1016/S0040-4039(00)86970-1 https://doi.org/10.1021/NP50026A016 |
Canthin-2,6-dione
|
14082276 |
Click to see
C1=CC=C2C(=C1)C3=CC(=O)NC4=C3N2C(=O)C=C4
|
236.22 |
unknown |
via CMAUP database |
Canthin-6-one
|
97176 |
Click to see
C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3
|
220.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
|
Emodin
|
3220 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
|
270.24 |
unknown |
https://doi.org/10.1055/S-2007-969512 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
Vanillic Acid
|
8468 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)O
|
168.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
> Lignans, neolignans and related compounds / Coumarinolignans
|
CID 14282057
|
14282057 |
Click to see
COC1=C(C=CC(=C1)C2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)CO)O
|
386.40 |
unknown |
https://doi.org/10.1021/NP50032A011 |
CID 335652
|
335652 |
Click to see
COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O
|
386.40 |
unknown |
https://doi.org/10.1021/NP50026A016 |
Cleomiscosin A
|
442510 |
Click to see
COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O
|
386.40 |
unknown |
https://doi.org/10.1021/NP50026A016 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Himeic Acid A
|
11774903 |
Click to see
CC(CC(=O)NC(=O)C1=COC(=CC1=O)C=CCCCCCCCCC(=O)O)C(=O)O
|
435.50 |
unknown |
via CMAUP database |
Himeic acid B
|
21579676 |
Click to see
C1=C(OC=C(C1=O)C(=O)N)C=CCCCCCCCCC(=O)O
|
321.40 |
unknown |
via CMAUP database |
Himeic acid C
|
21777983 |
Click to see
CC(CC(=O)NC(=O)C1=CNC(=CC1=O)C=CCCCCCCCCC(=O)O)C(=O)O
|
434.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
|
Hexadecanoic acid propylamide
|
10379895 |
Click to see
CCCCCCCCCCCCCCCC(=O)NCCC
|
297.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
Alloxanthin
|
6443740 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C#CC2=C(CC(CC2(C)C)O)C)C)C
|
564.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Quassinoids
|
(+)-Simalikalactone
|
15161842 |
Click to see
CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C
|
478.50 |
unknown |
https://doi.org/10.1055/S-2007-969512 |
(5R,7S,8R,9R,10S,14R,15S,16S,17R)-5,7,8-trihydroxy-15-(hydroxymethyl)-2,9,17-trimethyl-6,13-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(18),2-diene-4,12-dione
|
162844210 |
Click to see
CC1C2CC(=O)OC3C2(C4C5(C(=C3)C(=CC(=O)C5(OC4(C1O)O)O)C)C)CO
|
392.40 |
unknown |
https://doi.org/10.1016/S0040-4039(00)86970-1 |
[(1R,2S,3R,6R,8S,11S,12S,13R,14R,15R,16R,17S)-11,12,15,16-tetrahydroxy-9,13,17-trimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] (2R)-2-methylbutanoate
|
162919525 |
Click to see
CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(C=C5C)O)O)C)OC1=O)O)O)C
|
480.50 |
unknown |
https://doi.org/10.1021/NP030524N |
[(1R,2S,3R,6R,8S,12S,13S,14R,15R,16S)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] 2-methylbutanoate
|
320171 |
Click to see
CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C
|
478.50 |
unknown |
https://doi.org/10.1055/S-2007-969512 |
[(1S,4R,5R,6R,7S,11S,12R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate
|
21117504 |
Click to see
CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(=O)C5O)C)C)O
|
476.50 |
unknown |
https://doi.org/10.1016/S0040-4039(00)86970-1 |
5,7,8-Trihydroxy-15-(hydroxymethyl)-2,9,17-trimethyl-6,13-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(18),2-diene-4,12-dione
|
5257888 |
Click to see
CC1C2CC(=O)OC3C2(C4C5(C(=C3)C(=CC(=O)C5(OC4(C1O)O)O)C)C)CO
|
392.40 |
unknown |
https://doi.org/10.1016/S0040-4039(00)86970-1 |
6alpha-Senecioyloxychaparrin
|
174254 |
Click to see
CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(C5O)O)C)C)O
|
478.50 |
unknown |
https://doi.org/10.1016/S0040-4039(00)86970-1 |
6alpha-Senecioyloxychaparrinone
|
431194 |
Click to see
CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(=O)C5O)C)C)O
|
476.50 |
unknown |
https://doi.org/10.1016/S0040-4039(00)86970-1 |
Chaparrinone
|
73154 |
Click to see
CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O
|
378.40 |
unknown |
https://doi.org/10.1021/NP50026A015 |
Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-6-[(3-methyl-1-oxo-2-butenyl)oxy]-, (6alpha,11beta,12alpha)-
|
434049 |
Click to see
CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(C5O)O)C)C)O
|
478.50 |
unknown |
https://doi.org/10.1016/S0040-4039(00)86970-1 |
Simalikalactone D
|
441808 |
Click to see
CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C
|
478.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
Simalikilactone D
|
118701222 |
Click to see
CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C
|
478.50 |
unknown |
https://doi.org/10.1055/S-2007-969512 |
Similikalactone D
|
500023 |
Click to see
CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C
|
478.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
Beta-Carotene
|
5280489 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
|
536.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
|
102146782 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(CC(CC2(C)O)O)(C)C)O)C)C
|
600.90 |
unknown |
via CMAUP database |
(1R,4E,8R,9R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-5,9,13-trimethyltetradeca-4,12-diene-1,8,9-triol
|
162971880 |
Click to see
CC(=CCCC(C)(C1CCC(O1)(C)C(CCC=C(C)CCC(C(C)(CCC=C(C)C)O)O)O)O)C
|
494.70 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
(1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol
|
101289802 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
550.90 |
unknown |
via CMAUP database |
(2R,5S)-alpha,alpha,5-Trimethyl-5-[(1R,4E,8E,12R,13R)-1,12,13-trihydroxy-4,9,13,17-tetramethyl-4,8,16-octadecatrienyl]tetrahydrofuran-2-methanol
|
101710770 |
Click to see
CC(=CCCC(C)(C(CCC(=CCCC=C(C)CCC(C1(CCC(O1)C(C)(C)O)C)O)C)O)O)C
|
494.70 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W https://doi.org/10.1021/NP50091A019 |
(3R,4S,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4-triol
|
163187408 |
Click to see
CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
|
476.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
(4R,6S)-2,4-dihydroxy-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-one
|
162970793 |
Click to see
CC(CC(C(=O)C(C)(C)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
(6S,7S,10E,14E,18S,19R)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol
|
162969027 |
Click to see
CC(=CCCC(C)(C(CCC(=CCCC=C(C)CCC(C(C)(CCC=C(C)C)O)O)C)O)O)C
|
478.70 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
[(6R,7S,10E,14E,18R)-6,18-dihydroxy-18-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-2,10,14-trien-7-yl] acetate
|
162881635 |
Click to see
CC(=CCCC(C)(C(CCC(=CCCC=C(C)CCC(C1(CCC(O1)C(C)(C)O)C)O)C)OC(=O)C)O)C
|
536.80 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
[6,18-Dihydroxy-18-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-2,10,14-trien-7-yl] acetate
|
162881634 |
Click to see
CC(=CCCC(C)(C(CCC(=CCCC=C(C)CCC(C1(CCC(O1)C(C)(C)O)C)O)C)OC(=O)C)O)C
|
536.80 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
1-[5-(2-Hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]-5,9,13-trimethyltetradeca-4,12-diene-1,8,9-triol
|
162971878 |
Click to see
CC(=CCCC(C)(C1CCC(O1)(C)C(CCC=C(C)CCC(C(C)(CCC=C(C)C)O)O)O)O)C
|
494.70 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
1-[5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,16-triene-1,12,13-triol
|
163001460 |
Click to see
CC(=CCCC(C)(C(CCC(=CCCC=C(C)CCC(C1(CCC(O1)C(C)(C)O)C)O)C)O)O)C
|
494.70 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W https://doi.org/10.1021/NP50091A019 |
19'-Hexanoyloxyisomytiloxanthin
|
16061209 |
Click to see
CCCCCC(=O)OCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC1(C(CC(=O)CC1(C)C)C)O)C)C#CC2=C(CC(CC2(C)C)O)C
|
713.00 |
unknown |
via CMAUP database |
2,4-dihydroxy-6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptan-3-one
|
13967178 |
Click to see
CC(CC(C(=O)C(C)(C)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
2,6,10,15,19,23-Hexamethyltetracosa-2,10,14,22-tetraene-6,7,18,19-tetrol
|
162969026 |
Click to see
CC(=CCCC(C)(C(CCC(=CCCC=C(C)CCC(C(C)(CCC=C(C)C)O)O)C)O)O)C
|
478.70 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-2,3,4-triol
|
13967180 |
Click to see
CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
|
476.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
Amarouciaxanthin B/Sidnyaxanthin
|
16061221 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC2(C(=CC(=O)CC2(C)C)C)O)C)C
|
596.80 |
unknown |
via CMAUP database |
Anhydroamarouciaxanthin B
|
23428237 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)C=C2C(=CC(=O)CC2(C)C)C)C)C
|
578.80 |
unknown |
via CMAUP database |
Halocynthiaxanthin
|
11966451 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC23C(CC(CC2(O3)C)O)(C)C)C)C
|
598.90 |
unknown |
via CMAUP database |
Hispidol B
|
13967183 |
Click to see
CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
|
476.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
Isomytiloxanthin
|
23428074 |
Click to see
CC1CC(=O)CC(C1(CC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C#CC2=C(CC(CC2(C)C)O)C)C)C)O)(C)C
|
598.90 |
unknown |
via CMAUP database |
Mytiloxanthin
|
11365423 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=CC(=O)C2(CC(CC2(C)C)O)C)O)C)C
|
598.90 |
unknown |
via CMAUP database |
Pectenol A/(Pectenol)
|
16061215 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(C(CC2(C)C)O)O)C)C)C
|
582.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
|
7-Dehydrocholesterol
|
439423 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
|
384.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
Brassicasterol
|
5281327 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
398.70 |
unknown |
via CMAUP database |
Ergosterol
|
444679 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
|
396.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1021/NP50026A015 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1021/NP50026A015 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
|
notoamide J
|
25180709 |
Click to see
CC(C)(C=C)C1(C2=C(C=C(C=C2)O)NC1=O)CC3C(=O)N4CCCC4C(=O)N3
|
383.40 |
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
|
Betaine
|
247 |
Click to see
C[N+](C)(C)CC(=O)[O-]
|
117.15 |
unknown |
via CMAUP database |
N,N,N-trimethylglycinium
|
248 |
Click to see
C[N+](C)(C)CC(=O)O
|
118.15 |
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
|
Arginine
|
6322 |
Click to see
C(CC(C(=O)O)N)CN=C(N)N
|
174.20 |
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
|
3,3'-Methylenebis(tyrosine)
|
3082144 |
Click to see
C1=CC(=C(C=C1CC(C(=O)O)N)CC2=C(C=CC(=C2)CC(C(=O)O)N)O)O
|
374.40 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Kainoids
|
(6'S)-Isodomoic acid G
|
17753955 |
Click to see
CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Domoic acid C5'-diastereomer
|
5311075 |
Click to see
CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid F
|
101790920 |
Click to see
CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
|
7alpha-Acetoxydeacetylbotryenedial
|
102034772 |
Click to see
CC1CC(C2C(=C1C=O)C(C(C2(C)C)OC(=O)C)(C)C=O)O
|
308.40 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
> Organic acids and derivatives / Organic sulfonic acids and derivatives / Organosulfonic acids and derivatives / Organosulfonic acids
|
Taurine
|
1123 |
Click to see
C(CS(=O)(=O)O)N
|
125.15 |
unknown |
via CMAUP database |
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Alkanolamines / 1,2-aminoalcohols / N-acylethanolamines
|
Anandamide
|
5281969 |
Click to see
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
|
347.50 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones
|
Aspermytin A
|
9993091 |
Click to see
CC1CCC2C(C1)C=CC(C2(C)C(=O)CCO)(C)O
|
266.38 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Azaspirodecane derivatives
|
CID 101396440
|
101396440 |
Click to see
CC1CC2C3C(CC4(O3)C(CC(CN4)C)C)OC(C1)(O2)CC(=C)C5C(CC(C(O5)(C(C6CC7C(O6)CC(C8(O7)CCC9(O8)C=CCC(O9)C=CCCC(=O)O)C)O)O)C)C
|
842.10 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzodiazepines / 1,4-benzodiazepines
|
(3R,3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
|
92278353 |
Click to see
CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O
|
310.30 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
|
(3S,8aS)-3-[[(3R)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
|
16127840 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C3(CC4C(=O)N5CCCC5C(=O)N4)C(C)(C)C=C)C
|
449.50 |
unknown |
via CMAUP database |
Notoamide A
|
16128040 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2N(C(=O)C34CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)O)C
|
463.50 |
unknown |
via CMAUP database |
notoamide B
|
16127923 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
|
447.50 |
unknown |
via CMAUP database |
Notoamide H
|
25180895 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2N(C(=O)C34C(C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)O)O)C
|
479.50 |
unknown |
via CMAUP database |
Notoamide O
|
102043608 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC4(C3=O)C(C5CC67CCCN6C(=O)C5(C(O4)O)NC7=O)(C)C)C
|
479.50 |
unknown |
via CMAUP database |
Notoamide Q
|
46919487 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C3(CC4C(=O)N5CCCC5(C(=O)N4)OC)C(C)(C)C=C)C
|
479.60 |
unknown |
via CMAUP database |
Sclerotiamide
|
10647785 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34C(C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)O)C
|
463.50 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Diazines / Pyrazines
|
(s)-3-(s-Butyl)-6-isopropylpyrazin-2(1h)-one
|
132278707 |
Click to see
CCC(C)C1=NC=C(NC1=O)C(C)C
|
194.27 |
unknown |
https://doi.org/10.1016/0040-4020(95)00762-W |
> Organoheterocyclic compounds / Indoles and derivatives / Pyrroloindoles
|
notoamide D
|
16127841 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC4(C3(CC5N4C(=O)C6CCCN6C5=O)O)C(C)(C)C=C)C
|
449.50 |
unknown |
via CMAUP database |
Notoamide K
|
25180896 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC4(C3(CC5(N4C(=O)C6CCCN6C5=O)O)O)C(C)(C)C=C)C
|
465.50 |
unknown |
via CMAUP database |
Notoamide P
|
46919486 |
Click to see
CC1(C=CC2=C3C(=CC(=C2O1)Br)C4(CC5(C(=O)N6CCCC6C(=O)N5C4(N3)C(C)(C)C=C)O)O)C
|
544.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Phenylquinolines
|
Viridicatol
|
115033 |
Click to see
C1=CC=C2C(=C1)C(=C(C(=O)N2)O)C3=CC(=CC=C3)O
|
253.25 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Pyrroloquinolines
|
(+)-Stephacidin A
|
16127922 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC4=C3CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
|
431.50 |
unknown |
via CMAUP database |
Notoamide F
|
25180710 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC4=C3C(C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)OC)C
|
461.60 |
unknown |
via CMAUP database |
Notoamide G
|
25180707 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2N(C4=C3C(C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)OC)O)C
|
477.60 |
unknown |
via CMAUP database |
Notoamide I
|
25180708 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC4=C3C(=O)C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
|
445.50 |
unknown |
via CMAUP database |
notoamide R
|
46919488 |
Click to see
CC1(C=CC2=C(O1)C=CC3=C2NC4=C3C(C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)O)C
|
447.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
Coumarin
|
323 |
Click to see
C1=CC=C2C(=C1)C=CC(=O)O2
|
146.14 |
unknown |
https://doi.org/10.1055/S-2007-969512 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1021/NP50026A016 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
Tricin
|
5281702 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
|
330.29 |
unknown |
https://doi.org/10.1055/S-2007-969512 https://doi.org/10.1016/S0031-9422(00)82492-9 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
|
5-Hydroxy-3,7,8,3',4'-pentamethoxyflavone
|
10200272 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)OC
|
388.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82492-9 |
> Phenylpropanoids and polyketides / Saxitoxins, gonyautoxins, and derivatives
|
[(3aS,4R,10aS)-2,6-diamino-9,9,10,10-tetrahydroxy-3,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
|
102411283 |
Click to see
C1C(C(C23N1C(=NC(C2NC(=N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)(O)O
|
411.35 |
unknown |
via CMAUP database |
[(3aS,4R,9S,10aS)-2,6-diamino-9,10,10-trihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
|
44587284 |
Click to see
C1C(C(C23N1C(=NC(C2NC(=N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)O
|
395.35 |
unknown |
via CMAUP database |
11,11-Dihydroxysaxitoxin
|
102411284 |
Click to see
C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)N)N)(O)O)(O)O
|
331.29 |
unknown |
via CMAUP database |
11beta-Hydroxysaxitoxin
|
60135304 |
Click to see
C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)N)N)(O)O)O
|
315.29 |
unknown |
via CMAUP database |