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CHEBI:225496 - Sparticolin B

ChEBI IDCHEBI:225496
ChEBI NameSparticolin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H12O5
Net Charge0
Average Mass320.300
Monoisotopic Mass320.06847
SMILESO=C(O)/C=C/C=C1\C(=O)C=CC12Oc1cccc3cccc(c13)O2
InChIInChI=1S/C19H12O5/c20-14-10-11-19(13(14)6-3-9-17(21)22)23-15-7-1-4-12-5-2-8-16(24-19)18(12)15/h1-11H,(H,21,22)/b9-3+,13-6+
InChIKeyILFMNYPCSHWMFW-MVWOEZQMSA-N
Species of MetaboliteComponentSourceComments
Sparticola junci (ncbitaxon:1803578) - PubMed (31599583)
ChEBI Ontology
Outgoing Relation(s)
Sparticolin B (CHEBI:225496) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(E,4E)-4-(5'-oxospiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,2'-cyclopent-3-ene]-1'-ylidene)but-2-enoic acid
Manual XrefsDatabases
128714971ChemSpider