EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225506 - Sparticolin D

ChEBI IDCHEBI:225506
ChEBI NameSparticolin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O6
Net Charge0
Average Mass340.331
Monoisotopic Mass340.09469
SMILESO=C(O)/C=C/C=C1[C@@H](O)C[C@H](O)C12Oc1cccc3cccc(c13)O2
InChIInChI=1S/C19H16O6/c20-13-10-16(21)19(12(13)6-3-9-17(22)23)24-14-7-1-4-11-5-2-8-15(25-19)18(11)14/h1-9,13,16,20-21H,10H2,(H,22,23)/b9-3+,12-6?/t13-,16-/m0/s1
InChIKeyGYUMSFUODMAKEE-YHLAGGFXSA-N
Species of MetaboliteComponentSourceComments
Sparticola junci (ncbitaxon:1803578) - PubMed (31599583)
ChEBI Ontology
Outgoing Relation(s)
Sparticolin D (CHEBI:225506) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(E)-4-[(3'S,5'S)-3',5'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,2'-cyclopentane]-1'-ylidene]but-2-enoic acid