input word = C00020423

Metabolite InformationStructural formula
Name Kessane
Formula C15H26O
Mw 222.19836545
CAS RN 3321-66-2
C_ID C00020423 ,
InChIKey QRVMFXFSGYDNJI-XOTRIRMANA-N
InChICode InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15?/m1/s1
SMILES [C@H]12[C@@H](CC[C@H]1C)[C@]1(OC([C@@H](C2)CC1)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites hybridus Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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