> Alkaloids and derivatives
|
(1R,4E,6R,7R,14R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
163194492 |
Click to see
CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(C)O)C
|
351.40 |
unknown |
https://doi.org/10.1021/NP000114O |
Integerrimine N-oxide
|
6437374 |
Click to see
CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(C)O)C
|
351.40 |
unknown |
https://doi.org/10.1021/NP000114O |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
|
Syringic acid
|
10742 |
Click to see
COC1=CC(=CC(=C1O)OC)C(=O)O
|
198.17 |
unknown |
via CMAUP database |
> Benzenoids / Phenanthrenes and derivatives / Hydrophenanthrenes
|
(2R,4aS,4bR,6R,7R,10aR)-6,7-dihydroxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
101418443 |
Click to see
CC1=C(C=CO1)C2(CCC3C(C2=O)CC=C4C3(CC(C(C4)O)O)C)C
|
344.40 |
unknown |
via CMAUP database |
Cynajapogenin A
|
15378970 |
Click to see
CC1=C(C=CO1)C2CCC3C(C2=O)CC=C4C3(CC(C(C4)O)O)C
|
330.40 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds
|
(S)-[4-[4-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-[(2S)-oxiran-2-yl]methanol
|
10971809 |
Click to see
COC1=CC(=CC(=C1C2=C(C=C(C=C2OC)C(C3CO3)O)OC)OC)C(C4CO4)O
|
418.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
Azelaic Acid
|
2266 |
Click to see
C(CCCC(=O)O)CCCC(=O)O
|
188.22 |
unknown |
via CMAUP database |
Hydron;octanedioate
|
22494956 |
Click to see
[H+].[H+].C(CCCC(=O)[O-])CCC(=O)[O-]
|
174.19 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(3,4a,5-Trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-8-yl) 2-methylbut-2-enoate
|
163019556 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1CC3C(=C(C(=O)O3)C)C2)C)C
|
332.40 |
unknown |
https://doi.org/10.1021/NP000114O |
(4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl) 2-methylbut-2-enoate
|
85283196 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1CC3(C(=C(C(=O)O3)C)C2O)OC)C)C
|
378.50 |
unknown |
https://doi.org/10.1021/NP000114O |
(9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl) acetate
|
85215451 |
Click to see
CC1CCC(C2C1(CC3=C(C(=O)OC3(C2)OC)C)C)OC(=O)C
|
322.40 |
unknown |
https://doi.org/10.1021/NP000114O |
[(4aR,5S,8S,8aR,9aS)-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
14829120 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1CC3C(=C(C(=O)O3)C)C2)C)C
|
332.40 |
unknown |
https://doi.org/10.1021/NP000114O |
[(4aR,5S,8S,8aR,9aS)-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] acetate
|
10639575 |
Click to see
CC1CCC(C2C1(CC3=C(C(=O)OC3(C2)OC)C)C)OC(=O)C
|
322.40 |
unknown |
https://doi.org/10.1021/NP000114O |
[(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
10833514 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1CC3(C(=C(C(=O)O3)C)C2O)OC)C)C
|
378.50 |
unknown |
https://doi.org/10.1021/NP000114O |
> 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 / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
(4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-Hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
21574520 |
Click to see
CC1C(C(CC(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)OC)O
|
504.60 |
unknown |
via CMAUP database |
(4S,5R,8S,13S,16S,19R,22R)-8-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
44584779 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)O)OC)O
|
520.60 |
unknown |
via CMAUP database |
Glaucogenin C mono-D-thevetoside
|
21632986 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)O)OC)O
|
520.60 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
(1S,2R,6R,7R,8aR)-7-hydroxy-6-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
|
11764254 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC(C(C5(CC4O)C)CCC(=O)C6=C(OC=C6)C)C(=O)O)C)C)OC)O
|
794.90 |
unknown |
via CMAUP database |
(2R,4aS,4bR,5S,6R,7R,10aR)-5,6-dihydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
24775701 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(C(C2O)O)C)CCC(C4=O)(C)C5=C(OC=C5)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
955.10 |
unknown |
via CMAUP database |
(2R,4aS,4bR,5S,7R,10aR)-5-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-3,4,4a,5,7,8,10,10a-octahydrophenanthrene-1,6-dione
|
25232561 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(C(C2=O)O)C)CCC(C4=O)(C)C5=C(OC=C5)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
953.10 |
unknown |
via CMAUP database |
(2R,4aS,4bR,5S,7R,10aR)-5-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-3,4,4a,5,7,8,10,10a-octahydrophenanthrene-1,6-dione
|
25232202 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(C(C4=O)O)C)CCC(C6=O)(C)C7=C(OC=C7)C)C)C)OC)O
|
790.90 |
unknown |
via CMAUP database |
(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5S,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
|
11498916 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC(C4=O)C5=C(OC=C5)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
925.10 |
unknown |
via CMAUP database |
(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
|
24775699 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC(C4=O)C5=C(OC=C5)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
925.10 |
unknown |
via CMAUP database |
(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
|
24775609 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CC4=CCC5C(C4(CC3O)C)CCC(C5=O)C6=C(OC=C6)C)C)O)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)OC
|
1073.20 |
unknown |
via CMAUP database |
(2R,4aS,4bR,6R,7R,10aR)-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-hydroxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
24775610 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC(C4=O)(C)C5=C(OC=C5)C)OC)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)OC
|
957.10 |
unknown |
via CMAUP database |
(2R,4aS,4bR,7R,10aR)-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-3,4,4a,5,7,8,10,10a-octahydrophenanthrene-1,6-dione
|
25232560 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4=O)C)CCC(C6=O)(C)C7=C(OC=C7)C)C)C)OC)O
|
774.90 |
unknown |
via CMAUP database |
(2R)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-1-oxo-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-2-yl]-2-methyl-2H-furan-5-one
|
25232022 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC(C4=O)(C)C5=CC(=O)OC5C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
955.10 |
unknown |
via CMAUP database |
(2R)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-1-oxo-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-2-yl]-2-methyl-2H-furan-5-one
|
25232021 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC(C6=O)(C)C7=CC(=O)OC7C)C)C)OC)O
|
792.90 |
unknown |
via CMAUP database |
(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
25232200 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC(C4=O)(C5=C(OC=C5)C)O)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
941.10 |
unknown |
via CMAUP database |
(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
25232201 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CC4=CCC5C(C4(CC3O)C)CCC(C5=O)(C6=C(OC=C6)C)O)C)O)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC
|
927.00 |
unknown |
via CMAUP database |
(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
25232559 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC(C6=O)(C7=C(OC=C7)C)O)C)C)OC)O
|
764.90 |
unknown |
via CMAUP database |
(2S,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
|
24775700 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC(C6=O)C7=C(OC=C7)C)C)C)OC)O
|
762.90 |
unknown |
via CMAUP database |
(2S)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-1-oxo-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-2-yl]-2-methyl-2H-furan-5-one
|
25232385 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC(C4=O)(C)C5=CC(=O)OC5C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
955.10 |
unknown |
via CMAUP database |
(2S)-3-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-1-oxo-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-2-yl]-2-methyl-2H-furan-5-one
|
25232020 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC(C6=O)(C)C7=CC(=O)OC7C)C)C)OC)O
|
792.90 |
unknown |
via CMAUP database |
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
11400424 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC5=COC6(C5(C(CO6)OC4=O)O)C)OC)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC)OC
|
987.10 |
unknown |
via CMAUP database |
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
11445764 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7(C(CO8)OC6=O)O)C)C)C)OC)O
|
810.90 |
unknown |
via CMAUP database |
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
11205104 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7(C(CO8)OC6=O)O)C)C)C)OC)O
|
810.90 |
unknown |
via CMAUP database |
(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2R,4R,5S,6S)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
21636204 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CC4=CCC5C(C4(CC3O)C)CCC6=COC7(C6C(CO7)OC5=O)C)C)O)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC
|
957.10 |
unknown |
via CMAUP database |
(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2R,4R,5S,6S)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
21636203 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7C(CO8)OC6=O)C)C)C)OC)O
|
794.90 |
unknown |
via CMAUP database |
(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
11158941 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC5=COC6(C5C(CO6)OC4=O)C)OC)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC)OC
|
971.10 |
unknown |
via CMAUP database |
(4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2R,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
21632985 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CCC4(C5CCC6=COC7(C6C(CO7)OC(=O)C5CC=C4C3)C)C)C)O)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC
|
941.10 |
unknown |
via CMAUP database |
(4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
21632983 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CCC5(C6CCC7=COC8(C7C(CO8)OC(=O)C6CC=C5C4)C)C)C)C)OC)O
|
778.90 |
unknown |
via CMAUP database |
(4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
21632984 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CCC4(C5CCC6=COC7(C6C(CO7)OC(=O)C5CC=C4C3)C)C)C)O)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC
|
941.10 |
unknown |
via CMAUP database |
(4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
21632982 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CCC5(C6CCC7=COC8(C7C(CO8)OC(=O)C6CC=C5C4)C)C)C)C)OC)O
|
778.90 |
unknown |
via CMAUP database |
(4S,5R,8S,13S,16S,19R,22R)-8-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
90670869 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CCC5(C6CCC7=COC8(C7C(CO8)OC(=O)C6CC=C5C4)C)C)C)C)OC)O
|
778.90 |
unknown |
via CMAUP database |
(5aR,9R,10R,11aR,11bS)-10-hydroxy-9-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-11a-methyl-3-(2-methylfuran-3-yl)-1,5a,6,8,9,10,11,11b-octahydrobenzo[g][2]benzoxepin-5-one
|
11263117 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CC=C(OC4=O)C5=C(OC=C5)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
939.00 |
unknown |
via CMAUP database |
(5S)-4-[(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-1-oxo-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-2-yl]-5-methoxy-5-methylfuran-2-one
|
25232386 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC4C(C3(CC2O)C)CCC(C4=O)(C)C5=CC(=O)OC5(C)OC)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC
|
985.10 |
unknown |
via CMAUP database |
Cynanoside B
|
11320582 |
Click to see
CC1C(C(CC(O1)OC2CC3=CCC(C(C3(CC2O)C)CCC(=O)C4=C(OC=C4)C)C(=O)O)OC)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)CO)O)O)O)OC)OC
|
957.10 |
unknown |
via CMAUP database |
Cynanoside C
|
11285756 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC(C(C5(CC4O)C)CCC(=O)C6=C(OC=C6)C)C(=O)O)C)C)OC)O
|
780.90 |
unknown |
via CMAUP database |
Cynanoside E
|
11354844 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7(C(CO8)OC6=O)O)C)C)C)OC)O
|
824.90 |
unknown |
via CMAUP database |
Cynanoside S
|
25232384 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC(C(C5(CC4O)C)CC(=O)O)OC(=O)C6=C(OC=C6)C)C)C)OC)O
|
796.90 |
unknown |
via CMAUP database |
Glaucoside C
|
11764253 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7C(CO8)OC6=O)C)C)C)OC)O
|
794.90 |
unknown |
via CMAUP database |
Tylophoside C
|
11803490 |
Click to see
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7C(CO8)OC6=O)C)C)C)OC)O
|
808.90 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
3',4'-Dihydroxyacetophenone
|
14530 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)O
|
152.15 |
unknown |
via CMAUP database |
4'-Hydroxyacetophenone
|
7469 |
Click to see
CC(=O)C1=CC=C(C=C1)O
|
136.15 |
unknown |
via CMAUP database |
Acetovanillone
|
2214 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)OC
|
166.17 |
unknown |
via CMAUP database |
Resacetophenone
|
6990 |
Click to see
CC(=O)C1=C(C=C(C=C1)O)O
|
152.15 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Macrolides and analogues
|
(1S,4Z,7S,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
133562009 |
Click to see
CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
|
335.40 |
unknown |
https://doi.org/10.1021/NP000114O |
4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
254855 |
Click to see
CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
|
335.40 |
unknown |
https://doi.org/10.1021/NP000114O |
Integerrimine
|
5281733 |
Click to see
CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
|
335.40 |
unknown |
https://doi.org/10.1021/NP000114O |
Senecionine
|
5280906 |
Click to see
CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
|
335.40 |
unknown |
https://doi.org/10.1021/NP000114O |