2'-deoxymugineate

Chemical Formula:

C₁₂H₁₉N₂O₇

Molecular Weight:

303.291 Daltons

Monoisotopic Mass:

306.1427010713 Daltons

SMILES:

C(C(CC[N+]1(C(CC1)C([O-])=O))[N+]CCC(C([O-])=O)O)([O-])=O

InChI:

1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7-,8-,9?/m0/s1

InChIKey:

CUZKLRTTYZOCSD-JVIMKECRSA-M

Synonyms

Databases

MetaCyc: CPD-7227

PubChem (CID): 122706149

HMDB: HMDB33909

ChEBI: 58487

KEGG: C15485

Seed: cpd11172

MetaNetX: MNXM1166