input word = C00053349

Metabolite InformationStructural formula
Name Isobornyl isovalerate
Formula C15H26O2
Mw 238.19328007
CAS RN 7779-73-9
C_ID C00053349
InChIKey MPYYVGIJHREDBO-SLEUVZQESA-N
InChICode InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1
SMILES CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDittrichia graveolens Ref.
PlantaePinaceaePinus mugo subsp. Mugo Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismValeriana officinalis
Referencehttps://doi.org/10.1365/s10337-008-0921-y