CHEBI:218811 - Merochlorin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Merochlorin B
ChEBI ID CHEBI:218811
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H29ClO4
Net Charge 0
Average Mass 428.950
Monoisotopic Mass 428.17544
InChI InChI=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
InChIKey WEFLJOVONZPAEL-PNTFMKQHSA-N
SMILES ClC=1C(=O)C2=C(O)C=C(O)C=C2[C@@]34C1O[C@](CCC=C(C)C)(C)[C@@H]3CC(C4)=C(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
29214953 ChemSpider
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