input word = C00013212

Metabolite InformationStructural formula
Name Zinaflorin IV
(2Z)-(3aS,4R,4aS,6S,9R,9aR,10R,10aS)-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-butenoic acid
Formula C20H24O7
Mw 376.15220312
CAS RN 88930-59-0
C_ID C00013212 ,
InChIKey VBBKEDBHUOQVKR-FAKJATBPNA-N
InChICode InChI=1S/C20H24O7/c1-6-8(2)17(22)26-14-12-9(3)18(23)27-15(12)16(21)20(5)11-7-24-19(25-11)10(4)13(14)20/h6,11-16,19,21H,3-4,7H2,1-2,5H3/b8-6-/t11-,12-,13-,14-,15-,16-,19-,20-/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=CC)[C@@H]1C(=C)[C@H]3OC[C@H](O3)[C@@]1(C)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia peruviana Ref.
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