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CHEBI:223467 - Mindapyrrole C

ChEBI IDCHEBI:223467
ChEBI NameMindapyrrole C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H26Cl6N4O10S
Net Charge0
Average Mass1015.495
Monoisotopic Mass1011.95008
SMILESO=C(c1cc(Cl)c(Cl)n1)c1c(O)ccc(Cc2cc([C@@H](c3csc(-c4ccccc4O)n3)c3ccc(O)c(C(=O)c4cc(Cl)c(Cl)n4)c3O)c(O)c(C(=O)c3cc(Cl)c(Cl)n3)c2O)c1O
InChIInChI=1S/C44H26Cl6N4O10S/c45-20-11-23(51-41(20)48)38(62)31-28(56)7-5-15(34(31)58)9-16-10-19(37(61)33(35(16)59)40(64)25-13-22(47)43(50)53-25)30(26-14-65-44(54-26)17-3-1-2-4-27(17)55)18-6-8-29(57)32(36(18)60)39(63)24-12-21(46)42(49)52-24/h1-8,10-14,30,51-53,55-61H,9H2/t30-/m0/s1
InChIKeyMADIKJAZYIGDAS-PMERELPUSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (30793902)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Mindapyrrole C (CHEBI:223467) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
[3-[[3-(4,5-dichloro-1H-pyrrole-2-carbonyl)-5-[[3-(4,5-dichloro-1H-pyrrole-2-carbonyl)-2,4-dihydroxyphenyl]-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]methyl]-2,4-dihydroxyphenyl]methyl]-2,6-dihydroxyphenyl]-(4,5-dichloro-1H-pyrrol-2-yl)methanone
Manual XrefsDatabases
73930334ChemSpider