input word = C00000655

Metabolite InformationStructural formula
Name Ligballinol
p-coumarylresinol
Formula C18H18O4
Mw 298.12050906
CAS RN 55332-75-7
C_ID C00000655 ,
InChIKey AYMLHOROIXAYPH-JBTBMYCBNA-N
InChICode InChI=1S/C18H18O4/c19-13-5-1-11(2-6-13)17-15-9-22-18(16(15)10-21-17)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2/t15-,16-,17+,18+/m0/s1
SMILES Oc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O)cc2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeEcballium elaterium Ref.
PlantaeFabaceaeVigna angularis Ref.
PlantaeRutaceaeZanthoxylum wutaiense Ref.
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OrganismEcballium elaterium
ReferenceRao,Tetrahedron,30,(1974),3309