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CHEBI:226803 - Deschloro-merochlorin B

ChEBI IDCHEBI:226803
ChEBI NameDeschloro-merochlorin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O4
Net Charge0
Average Mass394.511
Monoisotopic Mass394.21441
SMILESCC(C)=CCC[C@]1(C)OC2=CC(=O)c3c(O)cc(O)cc3[C@@]23CC(=C(C)C)C[C@@H]13
InChIInChI=1S/C25H30O4/c1-14(2)7-6-8-24(5)21-9-16(15(3)4)13-25(21)18-10-17(26)11-19(27)23(18)20(28)12-22(25)29-24/h7,10-12,21,26-27H,6,8-9,13H2,1-5H3/t21-,24-,25+/m0/s1
InChIKeyAKXGRVOOWGJLFD-GVXSCFBNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNH189 (ncbitaxon:1136432) - PubMed (25147132)
ChEBI Ontology
Outgoing Relation(s)
Deschloro-merochlorin B (CHEBI:226803) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,12S,13R)-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
34981308ChemSpider