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CHEBI:226807 - Iso-chloro-merochlorin B

ChEBI IDCHEBI:226807
ChEBI NameIso-chloro-merochlorin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29ClO4
Net Charge0
Average Mass428.956
Monoisotopic Mass428.17544
SMILESCC(C)=CCC[C@]1(C)OC2=CC(=O)c3c(cc(O)c(Cl)c3O)[C@@]23CC(=C(C)C)C[C@@H]13
InChIInChI=1S/C25H29ClO4/c1-13(2)7-6-8-24(5)19-9-15(14(3)4)12-25(19)16-10-18(28)22(26)23(29)21(16)17(27)11-20(25)30-24/h7,10-11,19,28-29H,6,8-9,12H2,1-5H3/t19-,24-,25+/m0/s1
InChIKeyMXYVQGBXMBHBHE-PNTFMKQHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNH189 (ncbitaxon:1136432) - PubMed (25147132)
ChEBI Ontology
Outgoing Relation(s)
Iso-chloro-merochlorin B (CHEBI:226807) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,12S,13R)-5-chloro-4,6-dihydroxy-12-methyl-12-(4-methylpent-3-enyl)-15-propan-2-ylidene-11-oxatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6,9-tetraen-8-one
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34981306ChemSpider