input word = C00011989

Metabolite InformationStructural formula
Name [3aS-[3aalpha,4beta,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-propenoic acid
Formula C19H22O7
Mw 362.13655306
CAS RN 73021-22-4
C_ID C00011989 ,
InChIKey XBEWYBVLFVBNQU-QVJUQGJLNA-N
InChICode InChI=1S/C19H22O7/c1-8(2)17(22)25-14-12-10(4)18(23)26-15(12)16(21)19(5,11-7-24-11)13(14)9(3)6-20/h6,11-16,21H,1,3-4,7H2,2,5H3/t11-,12-,13+,14+,15+,16+,19+/m0/s1
SMILES C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@H]2[C@@H](O)[C@@](C)([C@@H]2CO2)[C@@H]1C(=C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia spp. Ref.
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