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CHEBI:225501 - Sparticolin C

ChEBI IDCHEBI:225501
ChEBI NameSparticolin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESO=C(O)C=CC[C@H]1[C@@H](O)C=CC12Oc1cccc3cccc(c13)O2
InChIInChI=1S/C19H16O5/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/h1-5,7-11,13-14,20H,6H2,(H,21,22)/t13-,14-/m0/s1
InChIKeyOQZUXJCULSDFGH-KBPBESRZSA-N
Species of MetaboliteComponentSourceComments
Sparticola junci (ncbitaxon:1803578) - PubMed (31599583)
ChEBI Ontology
Outgoing Relation(s)
Sparticolin C (CHEBI:225501) is a naphthalenes (CHEBI:25477)
IUPAC Name 
4-[(1'S,5'S)-5'-hydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,2'-cyclopent-3-ene]-1'-yl]but-2-enoic acid