CHEBI:203718 - Debromomarinone

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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 Debromomarinone
ChEBI ID CHEBI:203718
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O5
Net Charge 0
Average Mass 408.494
Monoisotopic Mass 408.19367
InChI InChI=1S/C25H28O5/c1-13(2)6-5-9-25(4)18-8-7-14(3)10-16(18)21-22(28)17-11-15(26)12-19(27)20(17)23(29)24(21)30-25/h6,10-12,16,18,26-27H,5,7-9H2,1-4H3/t16-,18+,25-/m0/s1
InChIKey DPALYVVGGATILJ-UVNWJPITSA-N
SMILES O=C1C=2O[C@]([C@@H]3CCC(=C[C@@H]3C2C(=O)C=4C1=C(O)C=C(O)C4)C)(CCC=C(C)C)C
Metabolite of Species Details
Actinomyces (NCBI:txid1654) See: DOI
ChEBI Ontology
Outgoing Debromomarinone (CHEBI:203718) is a organic heterotricyclic compound (CHEBI:26979)
Debromomarinone (CHEBI:203718) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(4aR,5S,12bS)-8,10-dihydroxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Manual Xref Database
8584615 ChemSpider
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