input word = C00031618

Metabolite InformationStructural formula
Name Balanophotannin A
(+)-Balanophotannin A
Formula C34H24O21
Mw 768.08100783
CAS RN 854050-58-1
C_ID C00031618 ,
InChIKey BGDRNGRDFOPVLI-VVJWPCBANA-N
InChICode InChI=1S/C34H24O21/c35-12-1-8(2-13(36)21(12)41)30(46)54-29-25(45)34(55-31(47)9-3-14(37)22(42)15(38)4-9)51-18-7-50-32(48)10-5-16(39)23(43)27-19(10)20-11(33(49)53-26(18)29)6-17(40)24(44)28(20)52-27/h1-6,18,25-26,29,34-45H,7H2/t18-,25-,26+,29+,34+/m1/s1
SMILES c1(c(c2c3c(c1)C(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)c1cc(c(c(c1)O)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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