input word = C00061298

Metabolite InformationStructural formula
Name 3-[(4S,7R,7aR)-2,4,5,6,7,7a-Hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propen-1-yl 3-methylbutanoate
Formula C20H32O2
Mw 304.24023027
CAS RN 291774-66-8
C_ID C00061298
InChIKey QFANMAOKAWEBQA-BPQIPLTHSA-N
InChICode InChI=1S/C20H32O2/c1-13(2)10-19(21)22-12-14(3)11-17-8-6-15(4)18-9-7-16(5)20(17)18/h11,13,15,17-18H,6-10,12H2,1-5H3/t15-,17+,18-/m1/s1
SMILES CC(=CC1CCC(C)C2CCC(C)=C12)COC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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