(Q27126155)

sophoraflavanone B anion (English)

6 October 2016

chemical formula

C₂₀H₁₉O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=CCC1=C2C(=C(C=C1[O-])O)C(=O)CC(O2)C3=CC=C(C=C3)O)C

1 reference

sophoraflavanone B anion (English)

6 October 2016

isomeric SMILES

CC(=CCC1=C2C(=C(C=C1[O-])O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)C

1 reference

sophoraflavanone B anion (English)

InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/p-1/t18-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

sophoraflavanone B anion (English)

LPEPZZAVFJPLNZ-SFHVURJKSA-M

6 October 2016

InChIKey

2 references

sophoraflavanone B anion (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-7-chromanolate (English)

6 October 2016

1 reference

sophoraflavanone B anion (English)

6 October 2016

ChEBI ID

58812

mapping relation type

1 reference