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CHEBI:205608 - (3S,3'S,4'R)-3',4',7-trihydroxy-5-methoxy-1'-methylspiro[2-benzouran-3,5'-cyclopentene]-1-one

ChEBI IDCHEBI:205608
ChEBI Name(3S,3'S,4'R)-3',4',7-trihydroxy-5-methoxy-1'-methylspiro[2-benzouran-3,5'-cyclopentene]-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O6
Net Charge0
Average Mass278.260
Monoisotopic Mass278.07904
SMILESCOc1cc(O)c2c(c1)[C@@]1(OC2=O)C(C)=C[C@H](O)[C@H]1O
InChIInChI=1S/C14H14O6/c1-6-3-10(16)12(17)14(6)8-4-7(19-2)5-9(15)11(8)13(18)20-14/h3-5,10,12,15-17H,1-2H3/t10-,12+,14-/m0/s1
InChIKeyKBGHOHCYDKSAQF-SUHUHFCYSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1039/c6ra16214b)
ChEBI Ontology
Outgoing Relation(s)
(3S,3'S,4'R)-3',4',7-trihydroxy-5-methoxy-1'-methylspiro[2-benzouran-3,5'-cyclopentene]-1-one (CHEBI:205608) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S,3'S,4'R)-3',4',7-trihydroxy-5-methoxy-1'-methylspiro[2-benzouran-3,5'-cyclopentene]-1-one
Manual XrefsDatabases
60596883ChemSpider