**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) [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

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