input word = C00020148

Metabolite InformationStructural formula
Name 3'-O-Methylbrazilin
Formula C17H16O5
Mw 300.09977362
CAS RN 111254-30-9
C_ID C00020148 ,
InChIKey RDWWRPSMRUBPHK-LQKAMQBPNA-N
InChICode InChI=1S/C17H16O5/c1-21-15-4-9-7-17(20)8-22-14-5-10(18)2-3-11(14)16(17)12(9)6-13(15)19/h2-6,16,18-20H,7-8H2,1H3/t16-,17+/m0/s1
SMILES c1(c(cc2c(c1)[C@H]1[C@@](C2)(COc2c1ccc(c2)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia sappan Ref.
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OrganismCaesalpinia sappan
ReferenceNamikoshi,Chem. Pharm. Bull.,35,(1987),2761