input word = C00014637

Metabolite InformationStructural formula
Name Verbenachalcone
Formula C31H28O9
Mw 544.17333249
CAS RN 351340-16-4
C_ID C00014637 ,
InChIKey IBCUKCLBAVTGLY-UHFFFAOYSA-N
InChICode InChI=1S/C31H28O9/c1-39-31-15-19(3-11-25(35)23-9-7-21(33)17-28(23)38)5-13-29(31)40-30-14-18(4-12-26(30)36)2-10-24(34)22-8-6-20(32)16-27(22)37/h4-9,12-17,32-33,36-38H,2-3,10-11H2,1H3
SMILES COc1cc(CCC(=O)c2ccc(O)cc2O)ccc1Oc1cc(CCC(=O)c2ccc(O)cc2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena littoralis Ref.
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OrganismVerbena littoralis
ReferenceLi,J.Nat.Prod.,64,(2001),806