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Dopaxanthin quinone

MNXM5138 is deprecated and here replaced by MNXM737503
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737503 Image of MNXM737503
referencechebi:81318
formulaC18H16N2O8
global charge0
mol weight388.332
InChIKeyDVOFEZJSDVPRON-AFUNOPLTSA-N
InChIInChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1
SMILESO=C(O)C1=C/C(=C/C=N\[C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)C[C@@H](C(=O)O)N1
MNX internals
InChI (mnx)InChI=1/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1 Image of MNXM737503
SMILES (mnx)[CH:1]1=[CH:2][C:14](=[O:21])[C:15](=[O:22])[CH:8]=[C:9]1[CH2:5][C@@H:11]([C:16](=[O:23])[OH:24])/[N:19]=[CH:4]\[CH:3]=[C:10]1\[CH:6]=[C:12]([C:17](=[O:25])[OH:26])[NH:20][C@H:13]([C:18](=[O:27])[OH:28])[CH2:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81318
chebi:81318
kegg.compound:C17753
keggC:C17753
DVOFEZJSDVPRON-AFUNOPLTSA-N 		Dopaxanthin quinone

seed.compound:cpd17850
seedM:cpd17850
DVOFEZJSDVPRON-AFUNOPLTSA-M 		Dopaxanthin quinone
dopaxanthin quinone

metacyc.compound:CPD-8672
metacycM:CPD-8672
DVOFEZJSDVPRON-AFUNOPLTSA-K 		dopaxanthin quinone

keggC:M_C17753
seedM:M_cpd17850 		secondary/obsolete/fantasy identifier