lupinate

Chemical Formula:

C₁₃H₁₈N₆O₃

Molecular Weight:

306.324 Daltons

Monoisotopic Mass:

307.15186350740004 Daltons

SMILES:

CC(=CCNC2(=NC=NC1(=C(N=CN(CC([N+])C(=O)[O-])1)2)))CO

InChI:

1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+/t9-/m0/s1

InChIKey:

LJJHXRRUVASJDX-WWQRDVDESA-N

Databases

MetaCyc: CPD-669

MetaboLights: MTBLC58927

ChEBI: 58927

PubChem (CID): 25243933

KEGG: C01513

CAS: 67392-79-4

Seed: cpd01070

MetaNetX: MNXM4029