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CHEBI:204809 - Merochlorin A

ChEBI IDCHEBI:204809
ChEBI NameMerochlorin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29ClO4
Net Charge0
Average Mass428.956
Monoisotopic Mass428.17544
SMILESCC(C)=CCC[C@@]1(C)[C@@H]2CC(=C(C)C)C[C@@]23C(=O)[C@]1(Cl)C(=O)c1c(O)cc(O)cc13
InChIInChI=1S/C25H29ClO4/c1-13(2)7-6-8-23(5)19-9-15(14(3)4)12-24(19)17-10-16(27)11-18(28)20(17)21(29)25(23,26)22(24)30/h7,10-11,19,27-28H,6,8-9,12H2,1-5H3/t19-,23-,24-,25+/m0/s1
InChIKeyHZPYWBLIVTTWQN-YUSVDLJSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22784372)
ChEBI Ontology
Outgoing Relation(s)
Merochlorin A (CHEBI:204809) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(1R,9S,10S,11R)-9-chloro-4,6-dihydroxy-10-methyl-10-(4-methylpent-3-enyl)-13-propan-2-ylidenetetracyclo[7.5.1.01,11.02,7]pentadeca-2(7),3,5-triene-8,15-dione
Manual XrefsDatabases
29214976ChemSpider