(Q27125797)

CHEBI:58447 (English)

6 October 2016

chemical formula

C₂₁H₁₉O₁₀⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)O)[O-])O

1 reference

CHEBI:58447 (English)

6 October 2016

isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])O

1 reference

CHEBI:58447 (English)

InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/p-1/t14-,17-,19+,20-,21+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:58447 (English)

MYXNWGACZJSMBT-VJXVFPJBSA-M

6 October 2016

InChIKey

2 references

CHEBI:58447 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol (English)

6 October 2016

1 reference

CHEBI:58447 (English)

6 October 2016

ChEBI ID

58447

mapping relation type

1 reference