(Q27126163)

leachianone G anion (English)

6 October 2016

chemical formula

C₂₀H₁₉O₆⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

leachianone G anion (English)

6 October 2016

isomeric SMILES

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

1 reference

leachianone G anion (English)

InChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h3-4,6-8,18,21-24H,5,9H2,1-2H3/p-1/t18-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

leachianone G anion (English)

VBOYLFNGTSLAAZ-SFHVURJKSA-M

6 October 2016

InChIKey

2 references

leachianone G anion (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-2-(2,4-Dihydroxyphenyl)-5-hydroxy-8-(3-methyl-2-buten-1-yl)-4-oxo-7-chromanolate (English)

6 October 2016

1 reference

leachianone G anion (English)

6 October 2016

ChEBI ID

58813

mapping relation type

1 reference