> Benzenoids / Phenanthrenes and derivatives
|
Dihydroisotanshinone Ii
|
44425164 |
Click to see
CC1COC2=C1C(=O)C(=O)C3=C2C4=CC=CC(=C4C=C3)C
|
278.30 |
unknown |
via CMAUP database |
Isotanshinone Ii
|
44425166 |
Click to see
CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=CO4)C)C(=O)C3=O
|
276.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
12-Deoxytanshinquinone B
|
15484930 |
Click to see
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C=C(C3=O)C(C)C
|
264.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tanshinones, isotanshinones, and derivatives
|
(8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
|
11778300 |
Click to see
CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C
|
278.30 |
unknown |
via CMAUP database |
15-epi-Danshenol A
|
102004790 |
Click to see
CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
|
336.40 |
unknown |
via CMAUP database |
2-Isopropyl-8-methylphenanthrene-3,4-dione
|
135872 |
Click to see
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C
|
264.30 |
unknown |
via CMAUP database |
Cryptotanshinone
|
160254 |
Click to see
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
|
296.40 |
unknown |
via CMAUP database |
Danshenol A
|
3083514 |
Click to see
CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
|
336.40 |
unknown |
via CMAUP database |
Dihydrotanshinone I
|
11425923 |
Click to see
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C
|
278.30 |
unknown |
via CMAUP database |
Isotanshinone I
|
623940 |
Click to see
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C
|
276.30 |
unknown |
via CMAUP database |
Tanshinone I
|
114917 |
Click to see
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
|
276.30 |
unknown |
via CMAUP database |
Tanshinone IIA
|
164676 |
Click to see
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
|
294.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
|
11799091 |
Click to see
CC(=O)OCC12CCC(CC1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)(C)C
|
484.80 |
unknown |
via CMAUP database |
11-Oxo-alpha-amyrin
|
69166285 |
Click to see
CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
440.70 |
unknown |
via CMAUP database |
11-Oxo-beta-amyrin
|
20055661 |
Click to see
CC1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
440.70 |
unknown |
via CMAUP database |
Acetic acid oleana-9(11),12-diene-3beta-yl ester
|
13988564 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2=CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
|
466.70 |
unknown |
via CMAUP database |
alpha-Amyrenyl acetate
|
92842 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C
|
468.80 |
unknown |
via CMAUP database |
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
via CMAUP database |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
via CMAUP database |
Methyl oleanolate
|
92900 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC)C
|
470.70 |
unknown |
via CMAUP database |
Methyl Ursolate
|
636516 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)OC
|
470.70 |
unknown |
via CMAUP database |
Oleanolic Acid
|
10494 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
via CMAUP database |
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3R,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-one
|
101712318 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(C(=O)CC(C4)O)C)O)C)C(C)C
|
444.70 |
unknown |
via CMAUP database |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
Ikshusterol
|
161816 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C
|
430.70 |
unknown |
via CMAUP database |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
[(1S)-1-[3-hydroxy-2-(5-methylhex-4-enoyl)phenyl]ethyl] acetate
|
162915905 |
Click to see
CC(C1=C(C(=CC=C1)O)C(=O)CCC=C(C)C)OC(=O)C
|
290.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[(1S)-1-[3-methoxy-2-(5-methylhex-4-enoyl)phenyl]ethyl] acetate
|
162849723 |
Click to see
CC(C1=C(C(=CC=C1)OC)C(=O)CCC=C(C)C)OC(=O)C
|
304.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[3-Methoxy-2-(5-methylhex-4-enoyl)phenyl]methyl acetate
|
86155688 |
Click to see
CC(=CCCC(=O)C1=C(C=CC=C1OC)COC(=O)C)C
|
290.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
1-[3-Hydroxy-2-(5-methylhex-4-enoyl)phenyl]ethyl acetate
|
86155690 |
Click to see
CC(C1=C(C(=CC=C1)O)C(=O)CCC=C(C)C)OC(=O)C
|
290.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
1-[3-Methoxy-2-(5-methylhex-4-enoyl)phenyl]ethyl acetate
|
86155670 |
Click to see
CC(C1=C(C(=CC=C1)OC)C(=O)CCC=C(C)C)OC(=O)C
|
304.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
3-Hydroxy-2-(5-methyl-4-hexenoyl)benzyl acetate
|
380976 |
Click to see
CC(=CCCC(=O)C1=C(C=CC=C1O)COC(=O)C)C
|
276.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones / 2-methoxychromones
|
[(1R)-1-[2-methoxy-3-(3-methylbut-2-enyl)-4-oxochromen-5-yl]ethyl] propanoate
|
163034030 |
Click to see
CCC(=O)OC(C)C1=C2C(=CC=C1)OC(=C(C2=O)CC=C(C)C)OC
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[(1S)-1-[2-methoxy-3-(3-methylbut-2-enyl)-4-oxochromen-5-yl]ethyl] acetate
|
162988661 |
Click to see
CC(C1=C2C(=CC=C1)OC(=C(C2=O)CC=C(C)C)OC)OC(=O)C
|
330.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[2-Methoxy-3-(3-methylbut-2-enyl)-4-oxochromen-5-yl]methyl acetate
|
163050532 |
Click to see
CC(=CCC1=C(OC2=CC=CC(=C2C1=O)COC(=O)C)OC)C
|
316.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[2-Methoxy-3-(3-methylbut-2-enyl)-4-oxochromen-5-yl]methyl propanoate
|
163004906 |
Click to see
CCC(=O)OCC1=C2C(=CC=C1)OC(=C(C2=O)CC=C(C)C)OC
|
330.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
1-[2-Methoxy-3-(3-methylbut-2-enyl)-4-oxochromen-5-yl]ethyl acetate
|
162988660 |
Click to see
CC(C1=C2C(=CC=C1)OC(=C(C2=O)CC=C(C)C)OC)OC(=O)C
|
330.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
1-[2-Methoxy-3-(3-methylbut-2-enyl)-4-oxochromen-5-yl]ethyl propanoate
|
163034029 |
Click to see
CCC(=O)OC(C)C1=C2C(=CC=C1)OC(=C(C2=O)CC=C(C)C)OC
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
5-(1-Hydroxyethyl)-2-methoxy-3-(3-methylbut-2-enyl)chromen-4-one
|
162943755 |
Click to see
CC(C1=C2C(=CC=C1)OC(=C(C2=O)CC=C(C)C)OC)O
|
288.34 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
5-[(1R)-1-hydroxyethyl]-2-methoxy-3-(3-methylbut-2-enyl)chromen-4-one
|
162943756 |
Click to see
CC(C1=C2C(=CC=C1)OC(=C(C2=O)CC=C(C)C)OC)O
|
288.34 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
(3R)-3-methyl-11-(3-methylbut-2-enyl)-2,9-dioxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7-tetraen-10-one
|
163087678 |
Click to see
CC1C2=C3C(=CC=C2)OC(=O)C(=C3O1)CC=C(C)C
|
256.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[(1R)-1-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl] propanoate
|
163039143 |
Click to see
CCC(=O)OC(C)C1=C2C(=CC=C1)OC(=O)C(=C2OC)CC=C(C)C
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[(1S)-1-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl] acetate
|
162873556 |
Click to see
CC(C1=C2C(=CC=C1)OC(=O)C(=C2OC)CC=C(C)C)OC(=O)C
|
330.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[(8S)-4-(3-methylbut-2-enyl)-3-oxo-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),4,9(13),10-tetraen-8-yl] acetate
|
163049482 |
Click to see
CC(=CCC1=C2C3=C(C=CC=C3OC1=O)C(CO2)OC(=O)C)C
|
314.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[(8S)-4-(3-methylbut-2-enyl)-3-oxo-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),4,9(13),10-tetraen-8-yl] propanoate
|
162892273 |
Click to see
CCC(=O)OC1COC2=C(C(=O)OC3=CC=CC1=C32)CC=C(C)C
|
328.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[4-(3-Methylbut-2-enyl)-3-oxo-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),4,9(13),10-tetraen-8-yl] acetate
|
163049481 |
Click to see
CC(=CCC1=C2C3=C(C=CC=C3OC1=O)C(CO2)OC(=O)C)C
|
314.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[4-(3-Methylbut-2-enyl)-3-oxo-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),4,9(13),10-tetraen-8-yl] propanoate
|
162892272 |
Click to see
CCC(=O)OC1COC2=C(C(=O)OC3=CC=CC1=C32)CC=C(C)C
|
328.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
[4-Methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]methyl acetate
|
162859709 |
Click to see
CC(=CCC1=C(C2=C(C=CC=C2OC1=O)COC(=O)C)OC)C
|
316.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
1-[4-Methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl acetate
|
162873555 |
Click to see
CC(C1=C2C(=CC=C1)OC(=O)C(=C2OC)CC=C(C)C)OC(=O)C
|
330.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
1-[4-Methoxy-3-(3-methylbut-2-enyl)-2-oxochromen-5-yl]ethyl propanoate
|
163039142 |
Click to see
CCC(=O)OC(C)C1=C2C(=CC=C1)OC(=O)C(=C2OC)CC=C(C)C
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
11-(3-Methylbut-2-enyl)-2,9-dioxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7-tetraen-10-one
|
86155826 |
Click to see
CC(=CCC1=C2C3=C(CO2)C=CC=C3OC1=O)C
|
242.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
3-Methyl-11-(3-methylbut-2-enyl)-2,9-dioxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7-tetraen-10-one
|
163087677 |
Click to see
CC1C2=C3C(=CC=C2)OC(=O)C(=C3O1)CC=C(C)C
|
256.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 4-hydroxycoumarins
|
4-Hydroxy-5-(1-hydroxyethyl)-3-(3-methylbut-2-enyl)chromen-2-one
|
163019636 |
Click to see
CC(C1=C2C(=CC=C1)OC(=O)C(=C2O)CC=C(C)C)O
|
274.31 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82352-3 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Genkwanin
|
5281617 |
Click to see
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
|
284.26 |
unknown |
via CMAUP database |