input word = C00054313

Metabolite InformationStructural formula
Name 1,3-Di-O-galloyl-4,6-(S)-hexahydroxydiphenoyl-alpha-D-glucopyranose
Formula C34H26O22
Mw 786.09157252
CAS RN 87687-52-3
C_ID C00054313
InChIKey NLDMNSXOCDLTTB-UHFFFAOYSA-N
InChICode InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2
SMILES O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeCorylus heterophylla Ref.
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OrganismCorylus heterophylla
ReferenceChumbalov, T.K. et al., Khim. Prir. Soedin., 1970, 6, 496-497

Chem. Nat. Compd. (Engl. Transl.), 523-524 (Collinin)