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 OC1=C(O)C(O)=CC(C(OC2OC(COC(C(C=C(O)C(O)=C3O)=C3C4=C5C=C(O)C(O)=C4O)=O)C(OC5=O)C(OC(C6=CC(O)=C(O)C(O)=C6)=O)C2O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeCorylus heterophylla Ref.
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