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Medermycin

PropertiesImage
MNX_IDMNXM12223 Image of MNXM12223
referencechebi:31808
formulaC24H27NO8
global charge0
mol weight457.479
InChIKeyNYJGMJFBEVSQNN-CNRHASOASA-N
InChIInChI=1S/C24H27NO8/c1-9-17-19(24-15(31-9)8-16(26)33-24)22(29)12-6-5-11(21(28)18(12)23(17)30)14-7-13(25(3)4)20(27)10(2)32-14/h5-6,9-10,13-15,20,24,27-28H,7-8H2,1-4H3/t9-,10-,13-,14-,15-,20-,24+/m1/s1
SMILESC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)C1=C(C=CC([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)=C1O)C2=O
MNX internals
InChI (mnx)InChI=1/C24H27NO8/c1-9-17-19(24-15(31-9)8-16(26)33-24)22(29)12-6-5-11(21(28)18(12)23(17)30)14-7-13(25(3)4)20(27)10(2)32-14/h5-6,9-10,13-15,20,24,27-28H,7-8H2,1-4H3/t9-,10-,13-,14-,15-,20-,24+/m1/s1 Image of MNXM12223
SMILES (mnx)[CH3:1][C@@H:9]1[C:17]2=[C:19]([C:22](=[O:29])[C:12]3=[C:18]([C:21]([OH:28])=[C:11]([C@H:14]4[CH2:7][C@@H:13]([N:25]([CH3:3])[CH3:4])[C@H:20]([OH:27])[C@@H:10]([CH3:2])[O:32]4)[CH:5]=[CH:6]3)[C:23]2=[O:30])[C@@H:24]2[C@@H:15]([CH2:8][C:16](=[O:26])[O:33]2)[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31808
chebi:31808
kegg.compound:C12437
keggC:C12437
NYJGMJFBEVSQNN-CNRHASOASA-N 		Medermycin

seed.compound:cpd09189
seedM:cpd09189
NYJGMJFBEVSQNN-CNRHASOASA-O 		Medermycin
medermycin

metacyc.compound:CPD-19414
metacycM:CPD-19414
NYJGMJFBEVSQNN-CNRHASOASA-N 		medermycin

keggC:M_C12437
seedM:M_cpd09189 		secondary/obsolete/fantasy identifier