13-deoxycarminomycin

Properties Image MNX_ID MNXM5424 reference chebi:140329 formula C26H30NO9 global charge 1 mol weight 500.524 InChIKey UHYFCDBUKBJSFA-JYFLSIMMSA-O InChI InChI=1S/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/p+1/t10-,13-,15-,16-,21+,26-/m0/s1 SMILES CC[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/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/t10-,13-,15-,16-,21+,26-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@:26]1([OH:34])[CH2:8][C:12]2=[C:23]([OH:31])[C:19]3=[C:20]([C:24](=[O:32])[C:17]4=[C:11]([CH:5]=[CH:4][CH:6]=[C:14]4[OH:28])[C:22]3=[O:30])[C:25]([OH:33])=[C:18]2[C@@H:15]([O:36][C@H:16]2[CH2:7][C@H:13]([NH2:27])[C@H:21]([OH:29])[C@H:10]([CH3:2])[O:35]2)[CH2:9]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0