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CHEBI:218811 - Merochlorin B

ChEBI IDCHEBI:218811
ChEBI NameMerochlorin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29ClO4
Net Charge0
Average Mass428.956
Monoisotopic Mass428.17544
SMILESCC(C)=CCC[C@]1(C)OC2=C(Cl)C(=O)c3c(O)cc(O)cc3[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)17-10-16(27)11-18(28)20(17)22(29)21(26)23(25)30-24/h7,10-11,19,27-28H,6,8-9,12H2,1-5H3/t19-,24-,25+/m0/s1
InChIKeyWEFLJOVONZPAEL-PNTFMKQHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22784372)
ChEBI Ontology
Outgoing Relation(s)
Merochlorin B (CHEBI:218811) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,12S,13R)-9-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(7),3,5,9-tetraen-8-one
Manual XrefsDatabases
29214953ChemSpider