betaxanthin

Chemical Formula:

C₁₈H₁₈N₂O₆

Molecular Weight:

358.35 Daltons

Monoisotopic Mass:

360.13213638499997 Daltons

SMILES:

COC2(=CC(CCN=CC=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=CC=C2O)

InChI:

1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/p-2/b12-5-,19-7-/t14-/m0/s1

InChIKey:

SBHOSQZNRDXQAX-WSESCXGKSA-L

Synonyms

3-methoxytyramine betaxanthin

Databases

MetaCyc: CPD-8757

PubChem (CID): 25245127 135926572

Seed: cpd17851

ChEBI: 81319

MetaNetX: MNXM10820

KEGG: C17754