EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225109 - Marqualide

ChEBI IDCHEBI:225109
ChEBI NameMarqualide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCC[C@H](O)CCC(C1=C(O)[C@@H](C)OC1=O)C1=C(O)[C@@H](C)OC1=O
InChIInChI=1S/C16H22O7/c1-4-9(17)5-6-10(11-13(18)7(2)22-15(11)20)12-14(19)8(3)23-16(12)21/h7-10,17-19H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeySLALQKXUASJYII-HLTSFMKQSA-N
Species of MetaboliteComponentSourceComments
Marquandomyces marquandii (ncbitaxon:64636) - PubMed (31432669)
ChEBI Ontology
Outgoing Relation(s)
Marqualide (CHEBI:225109) is a polyketide (CHEBI:26188)
IUPAC Name 
(2R)-3-hydroxy-4-[(4S)-4-hydroxy-1-[(2R)-3-hydroxy-2-methyl-5-oxo-2H-uran-4-yl]hexyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
81360791ChemSpider