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 O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c4oc5c(O)c(O)cc(c5c34)C(=O)OC2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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