input word = C00012954

Metabolite InformationStructural formula
Name [3aR-(3aalpha,4alpha,6beta,8alpha,8aalpha,9aalpha)]-8-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-6-(2-methyl-1-oxopropoxy)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid
Formula C25H32O8
Mw 460.209718
CAS RN 86918-94-7
C_ID C00012954 ,
InChIKey WLZGEHHBTOAARA-NOKPGKKMNA-N
InChICode InChI=1S/C25H32O8/c1-11(2)22(27)31-16-9-18(30-15(7)26)25(8)10-17-19(14(6)24(29)32-17)21(20(25)13(16)5)33-23(28)12(3)4/h11,16-19,21H,3,6,9-10H2,1-2,4-5,7-8H3/t16-,17+,18-,19-,21-,25+/m0/s1
SMILES C1(=C2[C@@]([C@H](C[C@@H]1OC(=O)C(C)C)OC(=O)C)(C[C@@H]1[C@@H]([C@@H]2OC(=O)C(=C)C)C(=C)C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAspilia pluriseta Ref.
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