> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
Hentriacontanoic acid pentyl ester
|
21775821 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCC
|
537.00 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Amino fatty acids
|
3-Aminopentanedioic acid
|
73064 |
Click to see
C(C(CC(=O)O)N)C(=O)O
|
147.13 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
|
[(1R,2R,6S,10R,11R,13S,14R,15R)-13-acetyloxy-8-formyl-1-hydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
|
162901456 |
Click to see
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)C=O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC
|
521.60 |
unknown |
https://doi.org/10.1021/NP049831Z |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1021/NP049831Z |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1021/NP049831Z |
Isocaryophyllene oxide
|
1742211 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1021/NP049831Z |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
|
(3,4a,5-Trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate
|
163043043 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3)C)C)OC=C2C
|
330.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
(3,4a,5-Trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylpropanoate
|
77916125 |
Click to see
CC1CCCC2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C
|
318.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
(4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl isobutyrate
|
70698241 |
Click to see
CC1CCCC2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C
|
318.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
(8-Acetyloxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate
|
162843806 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3OC(=O)C)C)C)OC=C2C
|
388.50 |
unknown |
https://doi.org/10.1021/NP049831Z |
(8-Acetyloxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylpropanoate
|
163080170 |
Click to see
CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C)OC(=O)C
|
376.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
(8-Hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate
|
73081116 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3O)C)C)OC=C2C
|
346.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
(8-Hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylbutanoate
|
72786222 |
Click to see
CCC(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3O)C)C)OC=C2C
|
348.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
(8-Hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 3-methylbutanoate
|
73806259 |
Click to see
CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)CC(C)C)C)O
|
348.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
(8-Hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) propanoate
|
75240373 |
Click to see
CCC(=O)OC1C2=C(C(=O)C3C1(C(CCC3O)C)C)OC=C2C
|
320.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
[(4S,4aR,5S,8S,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate
|
11256109 |
Click to see
CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C)O
|
334.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
[(4S,4aR,5S,8S,8aS)-3,4a,5-trimethyl-4-(2-methylpropanoyloxy)-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
163190673 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1C(=O)C3=C(C2OC(=O)C(C)C)C(=CO3)C)C)C
|
416.50 |
unknown |
https://doi.org/10.1021/NP049831Z |
[(4S,4aR,5S,8S,8aS)-8-acetyloxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
101596715 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3OC(=O)C)C)C)OC=C2C
|
388.50 |
unknown |
https://doi.org/10.1021/NP049831Z |
[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 2-methylbutanoate
|
11290996 |
Click to see
CCC(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3O)C)C)OC=C2C
|
348.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate
|
21585574 |
Click to see
CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C)O
|
334.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 3-methylbutanoate
|
21585572 |
Click to see
CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)CC(C)C)C)O
|
348.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] propanoate
|
46927865 |
Click to see
CCC(=O)OC1C2=C(C(=O)C3C1(C(CCC3O)C)C)OC=C2C
|
320.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
[3,4a,5-Trimethyl-4-(2-methylpropanoyloxy)-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-8-yl] 2-methylbut-2-enoate
|
162909461 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1C(=O)C3=C(C2OC(=O)C(C)C)C(=CO3)C)C)C
|
416.50 |
unknown |
https://doi.org/10.1021/NP049831Z |
1alpha-Acetoxy-6beta-isobutyryloxy-9-oxo-10alphaH-furanoeremophilane
|
101596691 |
Click to see
CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C)OC(=O)C
|
376.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
6beta-Angeloyloxy-1alpha-hydroxy-9-oxo-10alphaH-furanoeremophilane
|
11739482 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3O)C)C)OC=C2C
|
346.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
6beta-Angeloyloxy-9-oxo-10alphaH-furanoeremophilane
|
14190079 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)C3C1(C(CCC3)C)C)OC=C2C
|
330.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
Bohlmann K1922
|
327387 |
Click to see
CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C)O
|
334.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(1R,4R,5S,6S,9R)-9-bromo-4-[[(1R,4R)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl]-6-methyl-11-oxatricyclo[4.3.2.01,5]undecan-10-one
|
46703590 |
Click to see
CC1(CC(CCC1Br)(CC2CCC34C2C(CCC3Br)(OC4=O)C)O)C
|
478.30 |
unknown |
via CMAUP database |
[(1R,4R)-4-bromo-1-[[(1R,4R,5S,6S,9R)-9-bromo-6-methyl-10-oxo-11-oxatricyclo[4.3.2.01,5]undecan-4-yl]methyl]-3,3-dimethylcyclohexyl] acetate
|
46703591 |
Click to see
CC(=O)OC1(CCC(C(C1)(C)C)Br)CC2CCC34C2C(CCC3Br)(OC4=O)C
|
520.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
|
7092730 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
(3S,4aS,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14a-tetradecahydro-1H-picen-3-ol
|
163023159 |
Click to see
CC1CCC2(CCC3(C(C2C1C)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
(3S,4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,14a-tetradecahydropicen-3-ol
|
154497735 |
Click to see
CC1(CCC2(CCC3(C(C2C1)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
(6R,7S,10R,11S,14R)-2,6,10-Trimethyl-14-[(S)-1-hydroxy-1-methyl-3-(3beta-hydroxy-3,7,7-trimethyl-6beta-bromohexahydrooxepin-2beta-yl)propyl]-2,7:6,11:10,14-triepoxy-3-tetradecene
|
102432674 |
Click to see
CC1(C=CCC2(C(O1)CCC3(C(O2)CCC(O3)C(C)(CCC4C(CCC(C(O4)(C)C)Br)(C)O)O)C)C)C
|
587.60 |
unknown |
via CMAUP database |
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one
|
612782 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
610148 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Aplysiol C
|
101519535 |
Click to see
CC(=CCCC(C)(C1CCC(O1)(C)C2CCC3C(O2)(CCC(O3)C4(CCC(C(O4)(C)C)Br)C)C)O)C
|
571.60 |
unknown |
via CMAUP database |
Aplysiol D
|
46703589 |
Click to see
CC1(C(CCC(O1)(C)C2CCC3(C(O2)CCC(O3)C4(CCC(O4)C(C)(CC=CC(C)(C)O)O)C)C)Br)C
|
587.60 |
unknown |
via CMAUP database |
Aplysiol E
|
101519536 |
Click to see
CC1(C(CCC(O1)(C)C2CCC3(C(O2)CCC(O3)C4(CCC(O4)C(C)(CC(C5C(O5)(C)C)Cl)O)C)C)Br)C
|
622.10 |
unknown |
via CMAUP database |
beta-Amyrone
|
12306160 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Lup-20(29)-en-3-one
|
323075 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Olean-12-en-3beta-ol
|
225689 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Taraxasterol
|
115250 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Taraxasterone
|
14485465 |
Click to see
CC1C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)C
|
424.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Urs-12-en-3-one
|
612828 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C
|
424.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
Urs-12-en-3beta-ol
|
225688 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(2R,3R,4S,5S,6S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
154496016 |
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/NP049831Z |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1021/NP049831Z |
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/NP049831Z |
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/NP049831Z |
> 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
|
(2S)-2-azaniumyl-5-(carbamoylamino)pentanoate
|
6992098 |
Click to see
C(CC(C(=O)[O-])[NH3+])CNC(=O)N
|
175.19 |
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
|
D-Aspartic acid
|
83887 |
Click to see
C(C(C(=O)O)N)C(=O)O
|
133.10 |
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
|
5282253 |
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 A
|
6442601 |
Click to see
CC(=CCC=C(C)C(=O)O)C1CNC(C1CC(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid B
|
6442550 |
Click to see
CC(=CCC=C(C)C(=O)O)C1CNC(C1CC(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid C
|
11301378 |
Click to see
CC(=CCCC(=C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid D
|
6442551 |
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 |
Kainic acid
|
10255 |
Click to see
CC(=C)C1CNC(C1CC(=O)O)C(=O)O
|
213.23 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
|
Butanedioate;hydron
|
21952380 |
Click to see
[H+].[H+].C(CC(=O)[O-])C(=O)[O-]
|
118.09 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
4'-Hydroxyacetophenone
|
7469 |
Click to see
CC(=O)C1=CC=C(C=C1)O
|
136.15 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Bi- and oligothiophenes
|
(1S)-1-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethane-1,2-diol
|
76956417 |
Click to see
CC#CC1=CC=C(S1)C2=CC=C(S2)C(CO)O
|
264.40 |
unknown |
https://doi.org/10.1021/NP049831Z |
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Purinones / Hypoxanthines
|
CID 790
|
790 |
Click to see
C1=NC2=C(N1)C(=O)N=CN2
|
136.11 |
unknown |
via CMAUP database |