input word = C00008456

Metabolite InformationStructural formula
Name 4'-Methylsigmoidin B
Formula C21H22O6
Mw 370.14163844
CAS RN 114340-00-0
C_ID C00008456 ,
InChIKey UYGBXGAZUCKDDV-UHFFFAOYNA-N
InChICode InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-17(25)21(12)26-3)18-10-16(24)20-15(23)8-14(22)9-19(20)27-18/h4,6-9,18,22-23,25H,5,10H2,1-3H3/t18-/m0/s1
SMILES COc1c(O)cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeErythrina berteroana Ref.
PlantaeFabaceaeErythrina sacleuxii Ref.
PlantaeFabaceaeErythrina velutina Ref.
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