input word = C00020147

Metabolite InformationStructural formula
Name 3'-Deoxysappanone B
Formula C18H18O5
Mw 314.11542369
CAS RN 113122-52-4
C_ID C00020147 ,
InChIKey JBKOVWAHSSJYCD-LGWFVXIRNA-N
InChICode InChI=1S/C18H18O5/c1-21-13-5-3-12(4-6-13)10-18(20)11-23-16-9-14(22-2)7-8-15(16)17(18)19/h3-9,20H,10-11H2,1-2H3/t18-/m1/s1
SMILES c1(ccc2c(c1)OC[C@@](C2=O)(Cc1ccc(cc1)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia sappan Ref.
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