input word = C00011986

Metabolite InformationStructural formula
Name [3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]-7-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid
Formula C22H26O7
Mw 402.16785319
CAS RN 73021-20-2
C_ID C00011986 ,
InChIKey MWGVFBDZYIRGKG-WGBIFWAUNA-N
InChICode InChI=1S/C22H26O7/c1-8-11(3)20(25)28-17-15-13(5)21(26)29-18(15)19(27-14(6)24)22(7,9-2)16(17)12(4)10-23/h8-10,15-19H,2,4-5H2,1,3,6-7H3/b11-8-/t15-,16+,17+,18+,19+,22-/m0/s1
SMILES [C@H]1([C@H]2[C@H]([C@H]([C@]([C@@H]1C(=C)C=O)(C=C)C)OC(=O)C)OC(=O)C2=C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia spp. Ref.
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