input word = C00022777

Metabolite InformationStructural formula
Name Bacchabolivic acid
Formula C20H28O3
Mw 316.20384476
CAS RN 120837-97-0
C_ID C00022777 ,
InChIKey KQFDQVMJLKUUDA-YWTSGMDRNA-N
InChICode InChI=1S/C20H28O3/c1-14-5-4-6-17-19(14,2)11-8-16(18(21)22)20(17,3)10-7-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,19-,20+/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)C(=O)O)(CCc1ccoc1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis boliviensis Ref.
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OrganismBaccharis boliviensis
ReferenceZdero,Phytochem.,28,(1989),531