input word = C00011987

Metabolite InformationStructural formula
Name [3aS-[3aalpha,4beta,5beta,6alpha,7alpha(Z),7abeta]]-4-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid
Formula C22H26O7
Mw 402.16785319
CAS RN 73021-21-3
C_ID C00011987 ,
InChIKey XOFKISJIPOLCGP-WGBIFWAUNA-N
InChICode InChI=1S/C22H26O7/c1-8-11(3)20(25)29-19-18-15(13(5)21(26)28-18)17(27-14(6)24)16(12(4)10-23)22(19,7)9-2/h8-10,15-19H,2,4-5H2,1,3,6-7H3/b11-8-/t15-,16+,17+,18+,19+,22-/m0/s1
SMILES C=C[C@]1(C)[C@H](OC(=O)/C(C)=CC)[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](OC(C)=O)[C@H]1C(=C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia spp. Ref.
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