3-epihydroxymugineate

Chemical Formula:

C₁₂H₁₈N₂O₉

Molecular Weight:

334.282 Daltons

Monoisotopic Mass:

337.1247052834 Daltons

SMILES:

C1(C(O)[CH](C([O-])=O)N1CC(O)[CH]([N+]CC[CH](O)C(=O)[O-])C(=O)[O-])

InChI:

1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/p-2/t5-,6-,7-,8-,9-/m0/s1

InChIKey:

QPIOQLJXMZWNFJ-LJASKYJCSA-L

Synonyms

3-epihydroxymugineic acid
epiHMA

Databases

MetaCyc: CPD-7289

ChEBI: 58488

PubChem (CID): 25201082

KEGG: C15501

Seed: cpd11183

MetaNetX: MNXM4330