(Q27130980)

5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate (English)

7 October 2016

chemical formula

C₂₁H₁₇O₁₁⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)[O-])O)O)O)O)O

1 reference

5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate (English)

7 October 2016

isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)O

1 reference

5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate (English)

InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/p-1/t16-,17-,18+,19-,21+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate (English)

IKIIZLYTISPENI-ZFORQUDYSA-M

7 October 2016

InChIKey

2 references

5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

baicalin(1-) (English)

7 October 2016

1 reference

5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate (English)

7 October 2016

ChEBI ID

61283

mapping relation type

1 reference