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CHEBI:225492 - Sparticolin A

ChEBI IDCHEBI:225492
ChEBI NameSparticolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14O5
Net Charge0
Average Mass322.316
Monoisotopic Mass322.08412
SMILESO=C(O)/C=C/C=C1[C@@H](O)C=CC12Oc1cccc3cccc(c13)O2
InChIInChI=1S/C19H14O5/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/h1-11,14,20H,(H,21,22)/b9-3+,13-6?/t14-/m0/s1
InChIKeySURWZKAHNYUGSO-FWTPWJSVSA-N
Species of MetaboliteComponentSourceComments
Sparticola junci (ncbitaxon:1803578) - PubMed (31599583)
ChEBI Ontology
Outgoing Relation(s)
Sparticolin A (CHEBI:225492) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(E)-4-[(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'-ylidene]but-2-enoic acid