input word = C00031091

Metabolite InformationStructural formula
Name Protosappanin E-2
Formula C32H26O11
Mw 586.14751167
CAS RN 130321-82-3
C_ID C00031091 ,
InChIKey PTEHIEUVVCAMMF-UHFFFAOYNA-N
InChICode InChI=1S/C32H26O11/c33-17-1-3-19-20-9-25(37)23(35)5-15(20)11-30(39,13-40-27(19)7-17)29-42-31-12-16-6-24(36)26(38)10-22(16)32(31,43-29)21-4-2-18(34)8-28(21)41-14-31/h1-10,29,33-39H,11-14H2/t29-,30-,31-,32-/m0/s1
SMILES [C@@H]1([C@]2(COc3c(c4c(C2)cc(c(c4)O)O)ccc(c3)O)O)O[C@@]23[C@@](COc4c2ccc(c4)O)(Cc2c3cc(c(c2)O)O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia sappan Ref.
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OrganismCaesalpinia sappan
ReferenceNguyen,Chem.Pharm.Bull.,53,(2005),984