input word = C00032061

Metabolite InformationStructural formula
Name Negundin B
(-)-Negundin B
Formula C20H22O6
Mw 358.14163844
CAS RN 844692-51-9
C_ID C00032061 ,
InChIKey AKOLXLNVZGAYAV-SBUNUNJWNA-N
InChICode InChI=1S/C20H22O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-8,15,20-24H,9-10H2,1-2H3/t15-,20-/m0/s1
SMILES COc1cc([C@H]2c3cc(O)c(OC)cc3C=C(CO)[C@@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex negundo Ref.
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OrganismVitex negundo
ReferenceAzhar-Ul-Haq,Chem.Pharm.Bull.,52,(2004),1269