SDCCGMLS-0066974.P001
Molecular Formula:
C36H28O16
InChI: InChI=1/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1/f/h47H
InChIKey: InChIKey=KMJPKUVSXFVQGZ-DAACPTETDF
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O
Names:
SDCCGMLS-0066974.P001
[(2S,3R)-5,7-dihydroxy-2-[6,8,9-trihydroxy-5-oxo-11-[(2S,3R)-3,5,7-trihydroxychroman-2-yl]-3-bicyclo[5.4.0]undeca-1,3,6,8,10-pentaenyl]chroman-3-yl] 3,4,5-trihydroxybenzoate
Registries:
PubChem CID 169167
PubChem ID 11538001
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