input word = C00011988

Metabolite InformationStructural formula
Name [3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha(Z),7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid
Formula C20H24O7
Mw 376.15220312
CAS RN 73021-23-5
C_ID C00011988 ,
InChIKey NXPOIAZRKHEBBW-PSQSRVDQNA-N
InChICode InChI=1S/C20H24O7/c1-6-9(2)18(23)27-17-16-13(11(4)19(24)26-16)15(22)14(10(3)7-21)20(17,5)12-8-25-12/h6-7,12-17,22H,3-4,8H2,1-2,5H3/b9-6-/t12-,13-,14+,15+,16+,17+,20+/m0/s1
SMILES [C@H]1([C@H]2[C@H]([C@H]([C@]([C@@H]1C(=C)C=O)(C)[C@@H]1CO1)OC(=O)/C(=C\C)/C)OC(=O)C2=C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia spp. Ref.
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