(Q27125827)

8'-Hydroxyabscisate (English)

6 October 2016

chemical formula

C₁₅H₁₉O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC(=O)CC(C1(C=CC(=CC(=O)[O-])C)O)(C)CO

1 reference

8'-Hydroxyabscisate (English)

6 October 2016

isomeric SMILES

CC1=CC(=O)C[C@]([C@]1(/C=C/C(=C\C(=O)[O-])/C)O)(C)CO

1 reference

8'-Hydroxyabscisate (English)

InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/p-1/b5-4+,10-6-/t14-,15-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

8'-Hydroxyabscisate (English)

AVFORCKFTWHFAR-ZSIFGTMLSA-M

6 October 2016

InChIKey

2 references

8'-Hydroxyabscisate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2Z,4E)-5-[(1R,6R)-1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoate (English)

6 October 2016

1 reference

8'-Hydroxyabscisate (English)

6 October 2016

ChEBI ID

58490

mapping relation type

1 reference