input word = C00022019

Metabolite InformationStructural formula
Name Vulgarone A
Formula C15H22O
Mw 218.16706532
CAS RN 62065-10-5
C_ID C00022019 ,
InChIKey KKQDNHZABGRCAS-XPCDDFEDNA-N
InChICode InChI=1S/C15H22O/c1-9-8-10-12-13(16)11(9)15(12,4)7-5-6-14(10,2)3/h8,10-12H,5-7H2,1-4H3/t10-,11-,12+,15+/m0/s1
SMILES [C@@H]12[C@@H]3C(=O)[C@H](C(=C1)C)[C@]3(CCCC2(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChrysanthemum vulgare Ref.
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