carminomycin

Properties Image MNX_ID MNXM7151 reference chebi:75730 formula C26H28NO10 global charge 1 mol weight 514.507 InChIKey XREUEWVEMYWFFA-CSKJXFQVSA-O InChI InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/p+1/t9-,13-,15-,16-,21+,26-/m0/s1 SMILES CC(=O)[C@]1(O)CC2=C(C(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2O)[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1 MNX internals InChI (mnx) InChI=1/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[C@@H:21]([OH:30])[C@@H:13]([NH2:27])[CH2:6][C@H:16]([O:37][C@H:15]2[CH2:8][C@@:26]([C:10]([CH3:2])=[O:28])([OH:35])[CH2:7][C:12]3=[C:23]([OH:32])[C:19]4=[C:20]([C:24](=[O:33])[C:17]5=[C:11]([CH:4]=[CH:3][CH:5]=[C:14]5[OH:29])[C:22]4=[O:31])[C:25]([OH:34])=[C:18]32)[O:36]1

Parent-child relations graph

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