CHEBI:205822 - Quadricinctafuran B

ChEBI IDCHEBI:205822
ChEBI NameQuadricinctafuran B
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SubmitterMetaboLights
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FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCc1cc(C(=O)O)cc2c1O[C@H](C(C)(O)CO)C2
InChIInChI=1S/C13H16O5/c1-7-3-9(12(15)16)4-8-5-10(18-11(7)8)13(2,17)6-14/h3-4,10,14,17H,5-6H2,1-2H3,(H,15,16)/t10-,13?/m0/s1
InChIKeySTEGIKRDKIOQIU-NKUHCKNESA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27438842)
ChEBI Ontology
Outgoing Relation(s)
Quadricinctafuran B (CHEBI:205822) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2S)-2-(1,2-dihydroxypropan-2-yl)-7-methyl-2,3-dihydro-1-benzouran-5-carboxylic acid
Manual XrefsDatabases
58197074ChemSpider