3''-deamino-3''-oxonicotianamine

Chemical Formula:

C₁₂H₁₇N₂O₇

Molecular Weight:

301.275 Daltons

Monoisotopic Mass:

304.1270510071 Daltons

SMILES:

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

InChI:

1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7-,8-/m0/s1

InChIKey:

PSBHIGYNXQIUQY-YUMQZZPRSA-M

Databases

MetaCyc: CPD-7228

RefMet: 3''-deamino-3''-oxonicotianamine

ChEBI: 58685

PubChem (CID): 25201327

KEGG: C15486

Seed: cpd11173

MetaNetX: MNXM1631