chelirubine

Properties Image MNX_ID MNXM4518 reference chebi:17031 formula C21H16NO5 global charge 1 mol weight 362.361 InChIKey RNSBFHHWMMKJAM-UHFFFAOYSA-N InChI InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1 SMILES COC1=CC2=C(OCO2)C2=C1C1=CC=C3C=C4OCOC4=CC3=C1[N+](C)=C2 MNX internals InChI (mnx) InChI=1/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1 SMILES (mnx) [CH3:1][N+:22]1=[C:20]2[C:12](=[C:19]3[C:14](=[CH:8]1)[C:21]1=[C:18]([CH:7]=[C:17]3[O:23][CH3:2])[O:26][CH2:10][O:27]1)[CH:4]=[CH:3][C:11]1=[CH:5][C:15]3=[C:16]([CH:6]=[C:13]12)[O:25][CH2:9][O:24]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0