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Jadomycin A

MNXM7455 is deprecated and here replaced by MNXM739953
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739953 Image of MNXM739953
referencekeggC:C18680
formulaC24H21NO6
global charge0
mol weight419.433
InChIKeyAVMSKCRHMKXYOO-JNVIWZAMSA-N
InChIInChI=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
SMILESCC[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 Image of MNXM739953
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
IdentifierDescription

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