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Novclobiocin 104

MNXM7278 is deprecated and here replaced by MNXM1371090
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371090 Image of MNXM1371090
referencechebi:31921
formulaC29H32ClNO10
global charge0
mol weight590.025
InChIKeyFLWNVTUDIWPFJL-ZJTSJXPUSA-N
InChIInChI=1S/C29H32ClNO10/c1-13(2)6-7-14-12-15(8-10-17(14)32)26(36)31-20-21(33)16-9-11-18(19(30)24(16)40-27(20)37)39-28-23(35)22(34)25(38-5)29(3,4)41-28/h6,8-12,22-23,25,28,32-35H,7H2,1-5H3,(H,31,36)/t22-,23+,25+,28+/m0/s1
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC2=CC=C3C(O)=C(NC(=O)C4=CC(CC=C(C)C)=C(O)C=C4)C(=O)OC3=C2Cl)OC1(C)C
MNX internals
InChI (mnx)InChI=1/C29H32ClNO10/c1-13(2)6-7-14-12-15(8-10-17(14)32)26(36)31-20-21(33)16-9-11-18(19(30)24(16)40-27(20)37)39-28-23(35)22(34)25(38-5)29(3,4)41-28/h6,8-12,22-23,25,28,32-35H,7H2,1-5H3,(H,31,36)/t22-,23+,25+,28+/m0/s1 Image of MNXM1371090
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:6][CH2:7][C:14]1=[C:17]([OH:32])[CH:10]=[CH:8][C:15]([C:26]([NH:31][C:20]2=[C:21]([OH:33])[C:16]3=[C:24]([C:19]([Cl:30])=[C:18]([O:39][C@H:28]4[C@H:23]([OH:35])[C@H:22]([OH:34])[C@@H:25]([O:38][CH3:5])[C:29]([CH3:3])([CH3:4])[O:41]4)[CH:11]=[CH:9]3)[O:40][C:27]2=[O:37])=[O:36])=[CH:12]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd09216
seedM:cpd09216
CHEBI:31921
chebi:31921
kegg.compound:C12473
keggC:C12473
FLWNVTUDIWPFJL-ZJTSJXPUSA-M
FLWNVTUDIWPFJL-ZJTSJXPUSA-N 		Novclobiocin 104

metacyc.compound:CPD-15419
metacycM:CPD-15419
FLWNVTUDIWPFJL-ZJTSJXPUSA-M 		novclobiocin 104

keggC:M_C12473
seedM:M_cpd09216 		secondary/obsolete/fantasy identifier