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CHEBI:217668 - Nectriaquinone B

ChEBI IDCHEBI:217668
ChEBI NameNectriaquinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCOc1cc(OC)c2c(c1)C(=O)C(C[C@H](C)O)=C(C)C2=O
InChIInChI=1S/C16H18O5/c1-8(17)5-11-9(2)15(18)14-12(16(11)19)6-10(20-3)7-13(14)21-4/h6-8,17H,5H2,1-4H3/t8-/m0/s1
InChIKeyMPMCTNYPSLJZSR-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Nectria (ncbitaxon:5133) - PubMed (29621598)
ChEBI Ontology
Outgoing Relation(s)
Nectriaquinone B (CHEBI:217668) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
2-[(2S)-2-hydroxypropyl]-5,7-dimethoxy-3-methylnaphthalene-1,4-dione