input word = C00032445

Metabolite InformationStructural formula
Name Upunaphenol B
(-)-Upunaphenol B
Formula C56H38O12
Mw 902.23632668
CAS RN 853234-90-9
C_ID C00032445 ,
InChIKey SEMLMSKWBGDESX-PXAWGJGINA-N
InChICode InChI=1S/C56H38O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45,51-53,55,57,59-66H/t45-,51-,52-,53-,55+/m1/s1
SMILES c12c([C@H]([C@@H](c3c4[C@@H]1[C@@H](Oc4cc(c3)O)c1ccc(cc1)O)[C@@H]1c3c4c(c5c(/C/1=C/1\C=CC(=O)C=C1)c(cc(c5)O)O)c(oc4cc(c3)O)c1ccc(cc1)O)c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeUpuna borneensis Ref.
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OrganismUpuna borneensis
ReferenceIto,Chem.Pharm.Bull.,55,(2007),1535