input word = C00061299

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 hexanoate
Formula C21H34O2
Mw 318.25588033
CAS RN 291774-67-9
C_ID C00061299
InChIKey HRSAOJHBYVIBNJ-NZSAHSFTSA-N
InChICode InChI=1S/C21H34O2/c1-5-6-7-8-20(22)23-14-15(2)13-18-11-9-16(3)19-12-10-17(4)21(18)19/h13,16,18-19H,5-12,14H2,1-4H3/t16-,18+,19-/m1/s1
SMILES CCCCCC(=O)OCC(C)=CC1CCC(C)C2CCC(C)=C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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