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CHEBI:225510 - Sparticolin E

ChEBI IDCHEBI:225510
ChEBI NameSparticolin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESO=C(O)C[C@@H]1C[C@H]2[C@H](C=CC23Oc2cccc4cccc(c24)O3)O1
InChIInChI=1S/C19H16O5/c20-17(21)10-12-9-13-14(22-12)7-8-19(13)23-15-5-1-3-11-4-2-6-16(24-19)18(11)15/h1-8,12-14H,9-10H2,(H,20,21)/t12-,13-,14-/m0/s1
InChIKeyMFOCYSKXKXAQBP-IHRRRGAJSA-N
Species of MetaboliteComponentSourceComments
Sparticola junci (ncbitaxon:1803578) - PubMed (31599583)
ChEBI Ontology
Outgoing Relation(s)
Sparticolin E (CHEBI:225510) is a naphthalenes (CHEBI:25477)
IUPAC Name 
2-[(2S,3aS,6aS)-spiro[2,3,3a,6a-tetrahydrocyclopenta[b]uran-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2-yl]acetic acid
Manual XrefsDatabases
128443072ChemSpider