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CHEBI:212877 - Myrothecol

ChEBI IDCHEBI:212877
ChEBI NameMyrothecol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCOc1cc(O)cc2c1[C@@H](c1oc(C)c(CO)c1C)OC2
InChIInChI=1S/C16H18O5/c1-8-12(6-17)9(2)21-15(8)16-14-10(7-20-16)4-11(18)5-13(14)19-3/h4-5,16-18H,6-7H2,1-3H3/t16-/m0/s1
InChIKeyMQZZMIANZWDRAS-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies GS-17 (ncbitaxon:1821730) - PubMed (24322495)
ChEBI Ontology
Outgoing Relation(s)
Myrothecol (CHEBI:212877) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(1S)-1-[4-(hydroxymethyl)-3,5-dimethyluran-2-yl]-7-methoxy-1,3-dihydro-2-benzouran-5-ol
Manual XrefsDatabases
30771435ChemSpider