**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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]2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=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) [cH:1]1[cH:2][c:3]([CH3:15])[c:4]2[c:5]([cH:6]1)[C:10](=[O:26])[C:9]1=[C:8]([C:7]2=[CH2:16])[CH:11]2[C@@H:12]([c:13]3[c:14]1[c:20]([CH3:21])[cH:19][c:18]([CH3:22])[cH:17]3)[NH:25][C:24](=[O:27])[C@@H:23]2[O:28]([O:29][OH:31])[OH:30]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
kegg.compound:C18680 keggC:C18680 AVMSKCRHMKXYOO-JNVIWZAMSA-N	Jadomycin A Jadomycin B aglycon
metacyc.compound:CPD-12938 metacycM:CPD-12938 AVMSKCRHMKXYOO-JNVIWZAMSA-N	(3aS)-jadomycin A
seed.compound:cpd19943 seedM:cpd19943 AVMSKCRHMKXYOO-JNVIWZAMSA-N	Jadomycin A Jadomycin B aglycon jadomycin A
keggC:M_C18680 seedM:M_cpd19943	secondary/obsolete/fantasy identifier