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CHEBI:208064 - Asperspin A

ChEBI IDCHEBI:208064
ChEBI NameAsperspin A
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SubmitterMetaboLights
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FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCOC/C=C/c1ccc2c(c1CO)O[C@@H](C(C)(C)O)C2
InChIInChI=1S/C16H22O4/c1-16(2,18)14-9-12-7-6-11(5-4-8-19-3)13(10-17)15(12)20-14/h4-7,14,17-18H,8-10H2,1-3H3/b5-4+/t14-/m1/s1
InChIKeyYKCQZLNYHUAUSM-ISZGNANSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31083492)
ChEBI Ontology
Outgoing Relation(s)
Asperspin A (CHEBI:208064) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
2-[(2R)-7-(hydroxymethyl)-6-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1-benzouran-2-yl]propan-2-ol
Manual XrefsDatabases
74849474ChemSpider