trans-tuberonic acid glucoside

Chemical Formula:

C₁₈H₂₇O₉

Molecular Weight:

387.406 Daltons

Monoisotopic Mass:

388.1733324977 Daltons

SMILES:

C(OC1(OC(CO)C(O)C(O)C(O)1))CC=CCC2(C(=O)CCC2CC([O-])=O)

InChI:

1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/p-1/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1

InChIKey:

JFDNMLUPLXZXGV-RKAGECJXSA-M

Synonyms

trans-12-hydroxyjasmonate 12-O-β-D-glucoside

Databases

MetaCyc: CPD-11510

PubChem (CID): 21600783

Seed: cpd05465

MetaNetX: MNXM95969

KEGG: C08558