Miraxanthin-I

Properties Image MNX_ID MNXM62209 reference chebi:6945 formula C14H18N2O7S global charge 0 mol weight 358.372 InChIKey KRWNKOCPQBHMPM-CEEUPZOTSA-N InChI InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4- SMILES CS(=O)CCC(/N=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4-/t9?,11?,24? SMILES (mnx) [CH3:1][S:24]([CH2:5][CH2:3][CH:9]([C:12](=[O:17])[OH:18])/[N:15]=[CH:4]\[CH:2]=[C:8]1\[CH:6]=[C:10]([C:13](=[O:19])[OH:20])[NH:16][CH:11]([C:14](=[O:21])[OH:22])[CH2:7]1)=[O:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0