input word = C00031620

Metabolite InformationStructural formula
Name Balanophotannin C
(+)-Balanophotannin C
Formula C36H26O20
Mw 778.10174328
CAS RN 854050-60-5
C_ID C00031620 ,
InChIKey WUIXNJUCTSTFHT-GRSFYLOKNA-N
InChICode InChI=1S/C36H26O20/c37-15-3-1-11(5-16(15)38)2-4-22(43)53-36-28(47)32(56-33(48)12-6-17(39)25(44)18(40)7-12)29-21(52-36)10-51-34(49)13-8-19(41)26(45)30-23(13)24-14(35(50)55-29)9-20(42)27(46)31(24)54-30/h1-9,21,28-29,32,36-42,44-47H,10H2/b4-2+/t21-,28-,29+,32+,36+/m1/s1
SMILES c1(c(c2c3c(c1)C(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)/C=C/c1cc(c(cc1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c3c(o2)c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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OrganismBalanophora japonica
ReferenceJiang,Chem.Pharm.Bull.,53,(2005),339