input word = C00013213

Metabolite InformationStructural formula
Name [3aS-(3aalpha,4alpha,4abeta,6alpha,9alpha,9aalpha,10beta,10aalpha)]-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-propenoic acid
Formula C19H22O7
Mw 362.13655306
CAS RN 88930-72-7
C_ID C00013213 ,
InChIKey VLSXPNVLJFPZEF-BRTBFNDRNA-N
InChICode InChI=1S/C19H22O7/c1-7(2)16(21)25-13-11-8(3)17(22)26-14(11)15(20)19(5)10-6-23-18(24-10)9(4)12(13)19/h10-15,18,20H,1,3-4,6H2,2,5H3/t10-,11-,12-,13-,14-,15-,18-,19-/m0/s1
SMILES [C@]12([C@H]([C@@H]3[C@H]([C@@H]([C@@H]1C(=C)[C@H]1OC[C@@H]2O1)OC(=O)C(=C)C)C(=C)C(=O)O3)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia peruviana Ref.
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