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Premithramycinone

MNXM6393 is deprecated and here replaced by MNXM1370633
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370633 Image of MNXM1370633
referencechebi:32051
formulaC21H18O9
global charge0
mol weight414.366
InChIKeyYGEWGLOEJMBKRL-NKTYFGPESA-N
InChIInChI=1S/C21H18O9/c1-7(22)13-17(26)18(30-2)11-5-9-3-8-4-10(23)6-12(24)14(8)16(25)15(9)20(28)21(11,29)19(13)27/h3-4,6,11,18,23-26,29H,5H2,1-2H3/t11-,18-,21+/m0/s1
SMILESCO[C@@H]1C(O)=C(C(C)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=C(O)C=C4C=C3C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C21H18O9/c1-7(22)13-17(26)18(30-2)11-5-9-3-8-4-10(23)6-12(24)14(8)16(25)15(9)20(28)21(11,29)19(13)27/h3-4,6,11,18,23-26,29H,5H2,1-2H3/t11-,18-,21+/m0/s1 Image of MNXM1370633
SMILES (mnx)[CH3:1][C:7]([C:13]1=[C:17]([OH:26])[C@@H:18]([O:30][CH3:2])[C@@H:11]2[CH2:5][C:9]3=[C:15]([C:16]([OH:25])=[C:14]4[C:8](=[CH:3]3)[CH:4]=[C:10]([OH:23])[CH:6]=[C:12]4[OH:24])[C:20](=[O:28])[C@:21]2([OH:29])[C:19]1=[O:27])=[O:22]
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:32051
chebi:32051
kegg.compound:C12383
keggC:C12383
vmhM:pmcn
vmhmetabolite:pmcn
YGEWGLOEJMBKRL-NKTYFGPESA-N 		Premithramycinone

metacyc.compound:CPD-13965
metacycM:CPD-13965
YGEWGLOEJMBKRL-NKTYFGPESA-N 		premithracinone

keggC:M_C12383
vmhM:M_pmcn 		secondary/obsolete/fantasy identifier