input word = C00054947

Metabolite InformationStructural formula
Name alpha-Bergamotenal
Formula C15H22O
Mw 218.16706532
CAS RN 65336-62-1
C_ID C00054947
InChIKey QWQJWQIDOZWIKY-MCKJQBSKSA-N
InChICode InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,10,13-14H,4,7-9H2,1-3H3/b11-5+/t13-,14-,15+/m0/s1
SMILES CC1=CC[C@@H]2[C@](CC/C=C(C)/C=O)(C)[C@H]1C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea lappa Ref.
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