input word = C00011990

Metabolite InformationStructural formula
Name [3aS-[3aalpha,4beta(Z),5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid
Formula C20H24O7
Mw 376.15220312
CAS RN 73088-53-6
C_ID C00011990 ,
InChIKey KHETWGVZAJUMQY-PSQSRVDQNA-N
InChICode InChI=1S/C20H24O7/c1-6-9(2)18(23)26-15-13-11(4)19(24)27-16(13)17(22)20(5,12-8-25-12)14(15)10(3)7-21/h6-7,12-17,22H,3-4,8H2,1-2,5H3/b9-6-/t12-,13-,14+,15+,16+,17+,20+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=CC)[C@@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia spp. Ref.
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