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CHEBI:214316 - Myrothelactone B

ChEBI IDCHEBI:214316
ChEBI NameMyrothelactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10O7
Net Charge0
Average Mass266.205
Monoisotopic Mass266.04265
SMILESCOc1cc(O)c2c(=O)occ([C@@H](O)C(=O)O)c2c1
InChIInChI=1S/C12H10O7/c1-18-5-2-6-7(10(14)11(15)16)4-19-12(17)9(6)8(13)3-5/h2-4,10,13-14H,1H3,(H,15,16)/t10-/m1/s1
InChIKeyUTOAVBRSJHIJTJ-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies OUCMDZ-2784 (ncbitaxon:1440508) - PubMed (30275406)
ChEBI Ontology
Outgoing Relation(s)
Myrothelactone B (CHEBI:214316) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(2R)-2-hydroxy-2-(8-hydroxy-6-methoxy-1-oxoisochromen-4-yl)acetic acid
Manual XrefsDatabases
71048918ChemSpider