(Q27131270)

oroxylin A 7-O-beta-D-glucuronate (English)

7 October 2016

chemical formula

C₂₂H₁₉O₁₁⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)[O-])O)O)O

1 reference

oroxylin A 7-O-beta-D-glucuronate (English)

7 October 2016

isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O

1 reference

oroxylin A 7-O-beta-D-glucuronate (English)

InChI=1S/C22H20O11/c1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/p-1/t16-,17-,18+,20-,22+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

oroxylin A 7-O-beta-D-glucuronate (English)

QXIPXNZUEQYPLZ-QSUZLTIMSA-M

7 October 2016

InChIKey

2 references

oroxylin A 7-O-beta-D-glucuronate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

oroxylin A 7-O-beta-D-glucuronate (English)

7 October 2016

1 reference

oroxylin A 7-O-beta-D-glucuronate (English)

7 October 2016

ChEBI ID

61674

mapping relation type

1 reference