Jadomycin A

Properties Image MNX_ID MNXM739953 reference keggC:C18680 formula C24H21NO6 global charge 0 mol weight 419.433 InChIKey AVMSKCRHMKXYOO-JNVIWZAMSA-N InChI InChI=1S/C24H21NO6/c1-4-11(3)19-24(30)31-23-13-8-10(2)9-15(27)16(13)18-20(25(19)23)22(29)17-12(21(18)28)6-5-7-14(17)26/h5-9,11,19,23,26-27H,4H2,1-3H3/t11-,19-,23-/m0/s1 SMILES CC[C@H](C)[C@H]1C(=O)O[C@H]2C3=C(C(O)=CC(C)=C3)C3=C(C(=O)C4=C(O)C=CC=C4C3=O)N12 MNX internals InChI (mnx) InChI=1/C24H21NO6/c1-4-11(3)19-24(30)31-23-13-8-10(2)9-15(27)16(13)18-20(25(19)23)22(29)17-12(21(18)28)6-5-7-14(17)26/h5-9,11,19,23,26-27H,4H2,1-3H3/t11-,19-,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:11]([CH3:3])[C@H:19]1[C:24](=[O:30])[O:31][C@H:23]2[C:13]3=[CH:8][C:10]([CH3:2])=[CH:9][C:15]([OH:27])=[C:16]3[C:18]3=[C:20]([C:22](=[O:29])[C:17]4=[C:12]([CH:6]=[CH:5][CH:7]=[C:14]4[OH:26])[C:21]3=[O:28])[N:25]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0