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CHEBI:224461 - Sch53516

ChEBI IDCHEBI:224461
ChEBI NameSch53516
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESO=C1CC[C@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@@H]1O[C@@H]1[C@@H]3O
InChIInChI=1S/C20H16O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h1-6,12,15-17,21,23H,7-8H2/t12-,15+,16-,17+,18-,19-/m0/s1
InChIKeyYZBITIKXOLYMNP-CCNMWVGKSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum mangiferae (ncbitaxon:463686) - DOI (10.1016/s0040-4039(00)76213-7)
ChEBI Ontology
Outgoing Relation(s)
Sch53516 (CHEBI:224461) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1'S,2'S,3'R,5'R,7'R,11'S)-2',11'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodecane]-8'-one
Manual XrefsDatabases
8582138ChemSpider