input word = C00011982

Metabolite InformationStructural formula
Name [3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid
Formula C19H22O6
Mw 346.14163844
CAS RN 73021-17-7
C_ID C00011982 ,
InChIKey PEMWDHVMSOZBIA-QGCWNTSVNA-N
InChICode InChI=1S/C19H22O6/c1-7-19(6)13(10(4)8-20)14(24-17(22)9(2)3)12-11(5)18(23)25-15(12)16(19)21/h7-8,12-16,21H,1-2,4-5H2,3,6H3/t12-,13+,14+,15+,16+,19-/m0/s1
SMILES C=C[C@]1(C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](OC(=O)C(=C)C)[C@H]1C(=C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia spp. Ref.
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