input word = C00013052

Metabolite InformationStructural formula
Name 8alpha-Isovaleryloxygazaniolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-2,3,3a,4,5,5a,9a,9b-Octahydro-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-methylbutanoic acid
Formula C20H26O4
Mw 330.18310932
CAS RN 71608-92-9
C_ID C00013052 ,
InChIKey SDNILGGFZCMCHY-AVBKTSBTNA-N
InChICode InChI=1S/C20H26O4/c1-11(2)9-15(21)23-14-10-20(5)8-6-7-12(3)17(20)18-16(14)13(4)19(22)24-18/h6-8,11,14,16-18H,4,9-10H2,1-3,5H3/t14-,16+,17+,18-,20-/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)CC(C)C)C[C@@]1(C)C=CC=C(C)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGazania krebsiana Ref.
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