β-D-glucopyranosyl abscisate

Chemical Formula:

C₂₁H₃₀O₉

Molecular Weight:

426.463 Daltons

Monoisotopic Mass:

426.18898256190005 Daltons

SMILES:

CC(C=CC1(C(CC(C=C1C)=O)(C)C)O)=CC(=O)OC2(C(O)C(O)C(O)C(CO)O2)

InChI:

1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1

InChIKey:

HLVPIMVSSMJFPS-VTEUUMMASA-N

Synonyms

abscisic acid glucose ester
(+)-ABA glucose ester
(+)-A-ABA glucose ester
ABA glucosyl ester
ABA-GE

Databases

MetaCyc: CPD-7727

ChEBI: 22151

PubChem (CID): 46173811

KEGG: C15970

Seed: cpd14694

MetaNetX: MNXM2878