input word = C00020347

Metabolite InformationStructural formula
Name Carabrol
4-Dihydrocarabrone
Formula C15H22O3
Mw 250.15689457
CAS RN 68776-20-5
C_ID C00020347 ,
InChIKey MTIXBBDFRVGBOQ-OAOBFMNINA-N
InChICode InChI=1S/C15H22O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13-,15-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCC(C)O)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarpesium abrotanoides Ref.
PlantaeAsteraceaeInula royleana Ref.
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