input word = C00059340

Metabolite InformationStructural formula
Name (2E)-2-Methyl-3-[(1aS,3aR,4R,7S,7aS)-octahydro-1a,4-dimethylindeno[1,7a-b]oxiren-7-yl]-2-propen-1-ol, 1-acetate
Formula C17H26O3
Mw 278.1881947
CAS RN 1179511-23-9
C_ID C00059340
InChIKey XFYJEZCEBAVINO-GGLMBGNOSA-N
InChICode InChI=1S/C17H26O3/c1-11(10-19-13(3)18)9-14-6-5-12(2)15-7-8-16(4)17(14,15)20-16/h9,12,14-15H,5-8,10H2,1-4H3/b11-9+/t12-,14+,15-,16+,17-/m1/s1
SMILES CC(=O)OCC(C)=CC1CCC(C)C2CCC3(C)OC123
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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