input word = C00018441

Metabolite InformationStructural formula
Name Callicarpenal
Formula C16H26O
Mw 234.19836545
CAS RN 161105-12-0
C_ID C00018441 ,
InChIKey MPWIIQYWQOBNKS-FOTVWQDANA-N
InChICode InChI=1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1
SMILES CC1=CCC[C@@H]2[C@@](C)(CC=O)[C@H](C)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCallicarpa americana Ref.
PlantaeLabiataeCallicarpa japonica Ref.
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