|
> Benzenoids / Benzene and substituted derivatives / Diphenylethers
|
|
2-Hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methyl-phenoxy]-3-(3-methylbut-2-enyl)benzoic acid
|
23843930 |
Click to see
|
358.40 |
unknown |
via CMAUP database |
|
6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxy-3-[(1S)-1-methoxy-3-methylbutyl]benzoic acid
|
38351229 |
Click to see
|
404.50 |
unknown |
via CMAUP database |
|
6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxybenzoic acid
|
71608329 |
Click to see
CC1=CC(=C(C(=C1)O)OC2=C(C(=C(C=C2)C(CC(C)C)O)OC)C(=O)O)CO
|
390.40 |
unknown |
via CMAUP database |
|
7-O-Acetylsecopenicillide C
|
71460590 |
Click to see
|
400.40 |
unknown |
via CMAUP database |
|
> Benzenoids / Tetralins
|
|
(1R,2S,3S)-2-chlorospiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,3,8-triol
|
51354127 |
Click to see
|
370.80 |
unknown |
via CMAUP database |
|
(1R,3R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,3,8-triol
|
51354124 |
Click to see
|
336.30 |
unknown |
via CMAUP database |
|
(1S,2R,3S)-2-chlorospiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,3,8-triol
|
51354126 |
Click to see
|
370.80 |
unknown |
via CMAUP database |
|
(1S,3R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,3,8-triol
|
51354123 |
Click to see
|
336.30 |
unknown |
via CMAUP database |
|
(3R)-3,8-dihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
|
51354122 |
Click to see
|
334.30 |
unknown |
via CMAUP database |
|
[(6'R,8'R)-6',8'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,5'-7,8-dihydro-6H-naphthalene]-1'-yl] hydrogen sulfate
|
51354125 |
Click to see
C1C(C2=C(C=CC=C2OS(=O)(=O)O)C3(C1O)OC4=CC=CC5=C4C(=CC=C5)O3)O
|
416.40 |
unknown |
via CMAUP database |
|
Sulfuric acid (2S)-1,1-[naphthalene-1,8-diylbis(oxy)]-2alpha,4beta-dihydroxy-3alpha-chlorotetralin-5-yl ester
|
51354407 |
Click to see
C1=CC2=C3C(=C1)OC4(C(C(C(C5=C4C=CC=C5OS(=O)(=O)O)O)Cl)O)OC3=CC=C2
|
450.80 |
unknown |
via CMAUP database |
|
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
|
Dotriacontane
|
11008 |
Click to see
|
450.90 |
unknown |
via CMAUP database |
|
Hentriacontane
|
12410 |
Click to see
|
436.80 |
unknown |
via CMAUP database |
|
Heptacosane
|
11636 |
Click to see
|
380.70 |
unknown |
via CMAUP database |
|
Hexacosane
|
12407 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCC
|
366.70 |
unknown |
via CMAUP database |
|
Nonacosane
|
12409 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
408.80 |
unknown |
via CMAUP database |
|
Pentacosane
|
12406 |
Click to see
|
352.70 |
unknown |
via CMAUP database |
|
Pentatriacontane
|
12413 |
Click to see
|
492.90 |
unknown |
via CMAUP database |
|
Triacontane
|
12535 |
Click to see
|
422.80 |
unknown |
via CMAUP database |
|
Tritriacontane
|
12411 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
464.90 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
|
Ustusolate A
|
23843911 |
Click to see
CC=CC=CC=CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(CO)O)CO
|
390.50 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
|
11-Octadecaenoic acid
|
122325 |
Click to see
CCCCCCC=CCCCCCCCCCC(=O)O
|
282.50 |
unknown |
via CMAUP database |
|
7-Hexadecenoic acid
|
543268 |
Click to see
CCCCCCCCC=CCCCCCC(=O)O
|
254.41 |
unknown |
via CMAUP database |
|
9-Heptadecenoic acid
|
3014063 |
Click to see
|
268.40 |
unknown |
via CMAUP database |
|
9-Hexadecenoic acid
|
4668 |
Click to see
CCCCCCC=CCCCCCCCC(=O)O
|
254.41 |
unknown |
via CMAUP database |
|
Eicosanoic Acid
|
10467 |
Click to see
|
312.50 |
unknown |
via CMAUP database |
|
Heptadecanoic Acid
|
10465 |
Click to see
|
270.50 |
unknown |
via CMAUP database |
|
Myristic Acid
|
11005 |
Click to see
|
228.37 |
unknown |
via CMAUP database |
|
Nonadecanoic Acid
|
12591 |
Click to see
|
298.50 |
unknown |
via CMAUP database |
|
Oleic Acid
|
445639 |
Click to see
|
282.50 |
unknown |
via CMAUP database |
|
Palmitic Acid
|
985 |
Click to see
|
256.42 |
unknown |
via CMAUP database |
|
Pentadecanoic Acid
|
13849 |
Click to see
|
242.40 |
unknown |
via CMAUP database |
|
Stearic Acid
|
5281 |
Click to see
|
284.50 |
unknown |
via CMAUP database |
|
trans-3-Hexadecenoic acid
|
5312418 |
Click to see
|
254.41 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
|
Lauric Acid
|
3893 |
Click to see
|
200.32 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
|
Linoleic Acid
|
5280450 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
via CMAUP database |
|
Linolenic Acid
|
5280934 |
Click to see
|
278.40 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
|
(1R,4S,5R,9S,10R,13S)-13-(hydroxymethyl)-5,9-dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
|
11392987 |
Click to see
|
318.40 |
unknown |
via CMAUP database |
|
(1S)-1-[(2S,4aR,4bR,5R,8aR)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
|
11602232 |
Click to see
|
322.50 |
unknown |
via CMAUP database |
|
(1S)-1-[(2S,4aR,4bR,8aR)-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
|
11551288 |
Click to see
|
306.50 |
unknown |
via CMAUP database |
|
(1S)-1-[(2S,4aS,4bS,5R,8aS)-5-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol
|
101202346 |
Click to see
CC1(CCC(C2(C1CC=C3C2CCC(C3)(C)C(CO)O)C)O)C
|
322.50 |
unknown |
via CMAUP database |
|
(4aR,4bR,7S,10aR)-7-[(1S)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-2,3,4b,5,6,9,10,10a-octahydrophenanthren-4-one
|
11702511 |
Click to see
CC1(CCC(=O)C2(C1CCC3=CC(CCC32)(C)C(CO)O)C)C
|
320.50 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
|
|
(1R,4S,5R,9S,10R,13S)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
|
100967711 |
Click to see
|
304.50 |
unknown |
via CMAUP database |
|
(1S,4S,5R,9R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carbaldehyde
|
11324617 |
Click to see
|
318.40 |
unknown |
via CMAUP database |
|
(1S,4S,5R,9R,13S,14S)-13,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
|
11428064 |
Click to see
|
350.40 |
unknown |
via CMAUP database |
|
(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
|
44575992 |
Click to see
|
320.50 |
unknown |
via CMAUP database |
|
(1S,4S,5R,9S,10R,13R,14S)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
46210307 |
Click to see
|
320.50 |
unknown |
via CMAUP database |
|
(1S,4S,5R,9S,10R,13S,14S)-14-(chloromethyl)-13,14-dihydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
|
21589750 |
Click to see
|
354.90 |
unknown |
via CMAUP database |
|
[(1S,4S,5R,9S,10R,13R,14S)-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methanol
|
102594837 |
Click to see
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)CO
|
306.50 |
unknown |
via CMAUP database |
|
13-Hydroxykaur-16-en-18-al
|
100967712 |
Click to see
CC1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)O)C)C=O
|
302.50 |
unknown |
via CMAUP database |
|
ent-16beta,17-Dihydroxy-9(11)-kauren-19-oic acid
|
23249404 |
Click to see
CC12CCCC(C1CCC34C2=CCC(C3)C(C4)(CO)O)(C)C(=O)O
|
334.40 |
unknown |
via CMAUP database |
|
Kaurenol
|
443465 |
Click to see
|
288.50 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
|
[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
162894616 |
Click to see
|
406.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
[(1S,4aS,5R,7S,7aS)-7-acetyloxy-1-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-hydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate
|
163027041 |
Click to see
|
532.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
[(1S,4aS,5R,7S,7aS)-7-acetyloxy-1-[3,4-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-hydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate
|
163027042 |
Click to see
|
532.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
[(1S,4aS,5R,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate
|
102180237 |
Click to see
|
448.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
[(1S,4aS,5R,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate
|
163045322 |
Click to see
|
448.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
[1-[4,5-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-methyl-5-oxo-1,4a,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
163060896 |
Click to see
|
372.40 |
unknown |
https://doi.org/10.1080/10286020600979480 |
|
[4a-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
163060913 |
Click to see
|
390.40 |
unknown |
https://doi.org/10.1080/10286020600979480 |
|
[4a-Hydroxy-7-methyl-1,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
163076295 |
Click to see
CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
|
568.50 |
unknown |
https://doi.org/10.1080/10286020600979480 |
|
[4a,5-Dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
494583 |
Click to see
|
406.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 https://doi.org/10.1021/NP0104626 |
|
[7-Acetyloxy-1-[3,4-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-hydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate
|
163027040 |
Click to see
CC(=O)OC1CC(C2C1(C=COC2OC3C(C(C(C(O3)CO)O)OC(=O)C)OC(=O)C)O)(C)OC(=O)C
|
532.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
[7-Acetyloxy-4a-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate
|
163045321 |
Click to see
|
448.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
2-[(4a-hydroxy-7-methyl-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162942535 |
Click to see
|
330.33 |
unknown |
https://doi.org/10.1080/10286020600979480 |
|
8-O-Acetylharpagide
|
9978650 |
Click to see
|
406.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 https://doi.org/10.1021/NP0104626 |
|
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
|
|
[4-(Acetyloxy)-5-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydronaphthalen-4a(2H)-yl]methyl acetate
|
6454443 |
Click to see
|
452.50 |
unknown |
https://doi.org/10.1055/S-2006-959769 |
|
Ajugarin III
|
76963958 |
Click to see
|
452.50 |
unknown |
https://doi.org/10.1055/S-2006-959769 |
|
Ajugarin-IV
|
10905588 |
Click to see
|
406.50 |
unknown |
https://doi.org/10.1039/C39820000618 |
|
methyl 8-acetyloxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate
|
14356988 |
Click to see
CC1CC(C2(C(CCCC2C1(C)CCC3=CC(=O)OC3)C(=O)OC)C)OC(=O)C
|
406.50 |
unknown |
https://doi.org/10.1039/C39820000618 |
|
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
|
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(5R,9R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
|
122130059 |
Click to see
|
520.70 |
unknown |
https://doi.org/10.1016/S0021-9673(01)88168-1 |
|
Bruguierin A
|
11513260 |
Click to see
|
727.20 |
unknown |
via CMAUP database |
|
Bruguierin B
|
11657758 |
Click to see
|
727.20 |
unknown |
via CMAUP database |
|
Bruguierin C
|
11629176 |
Click to see
|
759.20 |
unknown |
via CMAUP database |
|
Cyasterone
|
119444 |
Click to see
|
520.70 |
unknown |
https://doi.org/10.1016/S0021-9673(01)88168-1 |
|
Squalene
|
638072 |
Click to see
|
410.70 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives
|
|
Ajugasterone C
|
441826 |
Click to see
CC(C)CCC(C(C)(C1CCC2(C1(CC(C3C2=CC(=O)C4C3(CC(C(C4)O)O)C)O)C)O)O)O
|
480.60 |
unknown |
https://doi.org/10.1016/S0021-9673(01)88168-1 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
|
|
Cholesterol
|
5997 |
Click to see
|
386.70 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids
|
|
5-(5,6-Dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
|
633877 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C
|
428.60 |
unknown |
https://doi.org/10.1055/S-1999-14053 |
|
Ergosterol peroxide
|
5351516 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C
|
428.60 |
unknown |
https://doi.org/10.1055/S-1999-14053 |
|
Ergosterol-5,8-endoperoxide
|
6475766 |
Click to see
|
412.60 |
unknown |
https://doi.org/10.1055/S-1999-14053 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
|
Campesterol
|
173183 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
via CMAUP database |
|
Dehydroergosterol
|
6436660 |
Click to see
|
394.60 |
unknown |
https://doi.org/10.1055/S-1999-14053 |
|
Ergosterol
|
444679 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
|
396.60 |
unknown |
https://doi.org/10.1055/S-1999-14053 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters
|
|
3-Acetyl ergosterol 5,8-endoperoxide
|
6476655 |
Click to see
|
470.70 |
unknown |
https://doi.org/10.1055/S-1999-14053 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
|
(-)-beta-Sitosterol
|
222284 |
Click to see
|
414.70 |
unknown |
via CMAUP database |
|
Isofucosterol
|
5281326 |
Click to see
|
412.70 |
unknown |
via CMAUP database |
|
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 |
via CMAUP database |
|
Stigmasterol
|
5280794 |
Click to see
|
412.70 |
unknown |
via CMAUP database |
|
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
|
[(4R,4aR,5S,7R,8S,8aS)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
162953112 |
Click to see
|
434.50 |
unknown |
https://doi.org/10.1021/NP0104626 |
|
[5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
5088205 |
Click to see
|
434.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 https://doi.org/10.1021/NP0104626 https://doi.org/10.1039/C39760000949 |
|
3-Epi-caryoptin
|
70697894 |
Click to see
|
492.60 |
unknown |
via CMAUP database |
|
Ajugarin I
|
173866 |
Click to see
|
434.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 https://doi.org/10.1055/S-2006-959769 https://doi.org/10.1055/S-1999-14053 https://doi.org/10.1039/C39760000949 |
|
> Organic acids and derivatives / Organic carbonic acids and derivatives / Carbonic acid monoesters
|
|
[(4R,4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(3-oxocyclopenten-1-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl hydrogen carbonate
|
163106057 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
|
Ustusol C
|
44557563 |
Click to see
|
284.39 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
|
Ustusol A
|
44480213 |
Click to see
|
268.35 |
unknown |
via CMAUP database |
|
Ustusol B
|
44557562 |
Click to see
|
268.35 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Ethers / Diarylethers
|
|
1',2'-Dehydropenicillide
|
9896819 |
Click to see
CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C=CC(C)(C)O)OC)C(=O)OC2
|
370.40 |
unknown |
via CMAUP database |
|
3-[(R)-1-Hydroxy-3-methylbutyl]-4-methoxy-9-methyl-11-hydroxy-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one
|
25273618 |
Click to see
CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C(CC(C)C)O)OC)C(=O)OC2
|
372.40 |
unknown |
via CMAUP database |
|
3'-O-Methyldehydroisopenicillide
|
9864866 |
Click to see
CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C=CC(C)(C)OC)OC)C(=O)OC2
|
384.40 |
unknown |
via CMAUP database |
|
Neosarphenol B
|
71451577 |
Click to see
CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C=CC(=C)C)OC)C(=O)OC2
|
352.40 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
|
|
(+)-Bruguierol C
|
17752611 |
Click to see
CC12CCC(O1)CC3=C2C(=CC(=C3)O)O
|
206.24 |
unknown |
via CMAUP database |
|
(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-4,5-diol
|
11367742 |
Click to see
|
206.24 |
unknown |
via CMAUP database |
|
(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol
|
11148193 |
Click to see
|
190.24 |
unknown |
via CMAUP database |
|
(2S,7R,9S)-9-methoxy-7-methyl-2-propan-2-yl-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one
|
73356791 |
Click to see
|
276.33 |
unknown |
via CMAUP database |
|
7H-Furo(3,2-h)(2)benzopyran-3(2H)-one, 6,9-dihydro-7-hydroxy-7-methyl-2-(1-methylethylidene)-, (7R)-
|
156523 |
Click to see
CC(=C1C(=O)C2=C(O1)C3=C(CC(OC3)(C)O)C=C2)C
|
260.28 |
unknown |
via CMAUP database |
|
Aspergillumarin A
|
38346998 |
Click to see
|
248.27 |
unknown |
via CMAUP database |
|
Aspergillumarin B
|
38347996 |
Click to see
|
250.29 |
unknown |
via CMAUP database |
|
Ustusorane B
|
44557645 |
Click to see
|
242.27 |
unknown |
via CMAUP database |
|
Ustusorane C
|
44557646 |
Click to see
|
274.31 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
|
|
4-[2-[(1R)-8aalpha-Acetoxymethyl-3,4,4abeta,5,6,7,8,8a-octahydro-8alpha-hydroxy-5alpha,6alpha-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]furan-2(5H)-one
|
78302589 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 https://doi.org/10.1039/C39760000949 |
|
Ajugarin II
|
3085250 |
Click to see
CC1CC(C2(C(C1(C)CCC3=CC(=O)OC3)CCCC24CO4)COC(=O)C)O
|
392.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 https://doi.org/10.1055/S-2006-959769 https://doi.org/10.1039/C39760000949 https://doi.org/10.1055/S-1999-14053 |
|
Ajugarin-v
|
157867 |
Click to see
|
376.50 |
unknown |
https://doi.org/10.1039/C39820000618 https://doi.org/10.1246/CL.1983.223 |
|
> Organoheterocyclic compounds / Dithiolanes / 1,2-dithiolanes
|
|
Bruguiesulfurol
|
11513780 |
Click to see
|
154.21 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Furofurans
|
|
[8-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
5088213 |
Click to see
|
434.50 |
unknown |
https://doi.org/10.1039/C39800000897 |
|
3-Deoxycaryoptinol
|
124059 |
Click to see
|
434.50 |
unknown |
https://doi.org/10.1055/S-1999-14053 |
|
Clerodin
|
442014 |
Click to see
|
434.50 |
unknown |
https://doi.org/10.1055/S-1999-14053 https://doi.org/10.1039/C39800000897 |
|
> Organoheterocyclic compounds / Furopyrans
|
|
4,25-Dehydro-22-deoxyminiolutelide B
|
71608261 |
Click to see
CC1C2(C3(C4C(O1)OC(=O)C4(CC5C3(C(O2)C=C6C(=CC(=O)OC6(C)C)C5=C)C)C)C(=O)OC)O
|
486.50 |
unknown |
via CMAUP database |
|
4,25-Dehydrominiolutelide B
|
71608260 |
Click to see
CC1C2(C3(C4(C(CC5(C3(C(O1)OC5=O)O)C)C(=C)C6=CC(=O)OC(C6=CC4O2)(C)C)C)C(=O)OC)O
|
502.50 |
unknown |
via CMAUP database |
|
Berkeleyacetal A
|
24179625 |
Click to see
CC1C(=O)C2(C3C(O1)OC(=O)C3(CC4C2(CC=C5C(=C4C)CC(=O)OC5(C)C)C)C)C(=O)OC
|
472.50 |
unknown |
via CMAUP database |
|
Berkeleyacetal B
|
24179626 |
Click to see
|
486.50 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Naphthofurans
|
|
[(5R,5As,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
|
10407821 |
Click to see
CC=CC=CC=CC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3)(C)C)C)O
|
386.50 |
unknown |
via CMAUP database |
|
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,7S)-7-hydroxyocta-2,4-dienoate
|
51693297 |
Click to see
CC(CC=CC=CC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3)(C)C)C)O)O
|
404.50 |
unknown |
via CMAUP database |
|
Ustusolate D
|
44557643 |
Click to see
CC1(CCCC2(C1C(C=C3C2(C(=O)OC3)O)OC(=O)C=CC=CC(OC)OC)C)C
|
420.50 |
unknown |
via CMAUP database |
|
Ustusolate E
|
44480472 |
Click to see
|
374.40 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
|
octadecyl (2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-[(E)-3-octadecoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate
|
25105546 |
Click to see
CCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC2=C(C(=C1)OC)OC(C2C(=O)OCCCCCCCCCCCCCCCCCC)C3=CC(=CC(=C3)OC)O
|
891.30 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
|
2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxychromen-4-One
|
5378597 |
Click to see
|
464.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
125528541 |
Click to see
|
610.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
2-[3,4-dihydroxy-5-(2,3,4-trihydroxy-5-methylcyclohexyl)oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
163060843 |
Click to see
|
770.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
2-[3,4-Dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
162863000 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O)O)O)O
|
772.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
2-[3,4-dihydroxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
162863001 |
Click to see
|
772.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
2-[3,4-Dihydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
163060550 |
Click to see
|
934.80 |
unknown |
https://doi.org/10.1080/10286020600979480 |
|
2-[3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
162965522 |
Click to see
|
934.80 |
unknown |
https://doi.org/10.1080/10286020600979480 |
|
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
|
163033527 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC6C(C(C(C(O6)C)O)O)O)O)O)C)O)O)O)O)O
|
756.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
162894016 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)OC)C)O)O)O)O)O
|
786.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
|
163020357 |
Click to see
|
804.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
|
163020356 |
Click to see
|
804.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
163060827 |
Click to see
|
818.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-[3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-5,7-dihydroxychromen-4-one
|
163033526 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC6C(C(C(C(O6)C)O)O)O)O)O)C)O)O)O)O)O
|
756.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
162894015 |
Click to see
|
786.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
162949570 |
Click to see
|
770.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
12047524 |
Click to see
|
432.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-2-[4-hydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
163012567 |
Click to see
|
948.80 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
5,7-Dihydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-2-[4-hydroxy-3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
163012566 |
Click to see
|
948.80 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
Afzelin
|
5316673 |
Click to see
|
432.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
Isoquercetin
|
5280804 |
Click to see
|
464.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
Npc318533
|
5835713 |
Click to see
|
432.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
Quercetin 3-alloside
|
12304327 |
Click to see
|
464.40 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
Rutin
|
5280805 |
Click to see
|
610.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
Vitamin P
|
5293655 |
Click to see
|
610.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
|
2-[3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[3,4-dihydroxy-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)ethyl]oxan-2-yl]oxy-5-hydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
163086951 |
Click to see
CC1C(C(C(C(O1)CCC2CC(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)C)O)O)O)O)O)O)C7=CC(=C(C(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O)O)O
|
1079.00 |
unknown |
https://doi.org/10.1080/10286020600979480 |
|
5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy]chromen-4-one
|
163015313 |
Click to see
|
934.80 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.01.005 |
|
> Phenylpropanoids and polyketides / Macrolactams
|
|
CID 53235715
|
53235715 |
Click to see
|
553.60 |
unknown |
via CMAUP database |
|
CID 53235716
|
53235716 |
Click to see
CCC1CCC(=O)C=C2C(=CC3=C(O2)C(=CC(=C3)O)NC(=O)CC=C(C(=O)OC(C(C=C1)O)C=C(C)C)C)C
|
535.60 |
unknown |
via CMAUP database |
|
CID 72715428
|
72715428 |
Click to see
CCC1CCC(=O)C2=C(C(=CC3=C2C(=O)C=C4C3(C(C=C(C(=O)OC(C=C1)C(C=C(C)C)O)C)C(=O)N4)O)C)O
|
549.60 |
unknown |
via CMAUP database |