CHEBI:207370 - Sumalactone D

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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 Sumalactone D
ChEBI ID CHEBI:207370
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H20O6
Net Charge 0
Average Mass 308.330
Monoisotopic Mass 308.12599
InChI InChI=1S/C16H20O6/c1-9(17)14-5-3-2-4-12(19)16-10(7-15(21)22-14)6-11(18)8-13(16)20/h6,8-9,14,17-18,20H,2-5,7H2,1H3/t9-,14-/m0/s1
InChIKey AUXDEJONYQAXNK-XPTSAGLGSA-N
SMILES O=C1O[C@H]([C@@H](O)C)CCCCC(C2=C(C1)C=C(O)C=C2O)=O
Metabolite of Species Details
Penicillium sumatraense (NCBI:txid70558) See: DOI
ChEBI Ontology
Outgoing Sumalactone D (CHEBI:207370) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(5S)-12,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-4-oxabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3,10-dione
Manual Xref Database
62344048 ChemSpider
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