input word = C00012297

Metabolite InformationStructural formula
Name [3aS-(3aR*,4R*,5R*,6E,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,8,9,10,11,11a-decahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxopropoxy)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
9alpha-Acetoxymelnerin A
Formula C22H30O9
Mw 438.18898256
CAS RN 74562-62-2
C_ID C00012297 ,
InChIKey MJAHIVDNGNEUAZ-SHYBBPHXNA-N
InChICode InChI=1S/C22H30O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8,11,14,16-19,23H,3,6-7,9-10H2,1-2,4-5H3/b15-8+/t14-,16-,17-,18+,19+/m1/s1
SMILES [C@H]12[C@H](OC(=O)C1=C)C[C@@H](CC/C=C(\[C@@H]([C@H]2OC(=O)C(C)C)OC(=O)C)/C(=O)OC)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium leucanthum Ref.
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