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CHEBI:200167 - Ascochytatin

ChEBI IDCHEBI:200167
ChEBI NameAscochytatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O7
Net Charge0
Average Mass366.325
Monoisotopic Mass366.07395
SMILESOc1ccc(O)c2c1[C@@H](O)[C@H]1O[C@H]1[C@]21Oc2cccc3c(O)ccc(c23)O1
InChIInChI=1S/C20H14O7/c21-9-6-7-13-14-8(9)2-1-3-12(14)26-20(27-13)16-11(23)5-4-10(22)15(16)17(24)18-19(20)25-18/h1-7,17-19,21-24H/t17-,18-,19-,20+/m1/s1
InChIKeyWPTGKUTUOFNZAS-WTGUMLROSA-N
Species of MetaboliteComponentSourceComments
Ascochytaspecies (ncbitaxon:1756117) - PubMed (18503192)
ChEBI Ontology
Outgoing Relation(s)
Ascochytatin (CHEBI:200167) is a naphthols (CHEBI:25392)
IUPAC Name 
(1'aR,3S,7'R,7'aR)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,2'-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-3',6',7',8-tetrol
Manual XrefsDatabases
27023338ChemSpider