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CHEBI:216989 - Graphostrin C

ChEBI IDCHEBI:216989
ChEBI NameGraphostrin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESC=C(C)[C@@H]1Oc2ccc(C(=O)O)cc2[C@H]1O
InChIInChI=1S/C12H12O4/c1-6(2)11-10(13)8-5-7(12(14)15)3-4-9(8)16-11/h3-5,10-11,13H,1H2,2H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyLGHUAZWCXTYNNJ-MNOVXSKESA-N
Species of MetaboliteComponentSourceComments
Graphostroma (ncbitaxon:190933) - PubMed (29355320)
ChEBI Ontology
Outgoing Relation(s)
Graphostrin C (CHEBI:216989) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2S,3R)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzouran-5-carboxylic acid
Manual XrefsDatabases
65323343ChemSpider