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CHEBI:198254 - Sch49210

ChEBI IDCHEBI:198254
ChEBI NameSch49210
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESO=C1[C@H]2O[C@H]2C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12[C@@H](O)CC[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/h1-6,12-13,15,17,21-22H,7-8H2/t12-,13+,15+,17+,18-,19-/m0/s1
InChIKeyJBMAWELOWLUVHE-APMPMNJCSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum mangiferae (ncbitaxon:463686) - DOI (10.1016/s0040-4039(00)76213-7)
ChEBI Ontology
Outgoing Relation(s)
Sch49210 (CHEBI:198254) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1'R,3'S,5'R,7'S,8'R,11'S)-8',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]-2'-one
Manual XrefsDatabases
8104813ChemSpider