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CHEBI:199274 - Cheimonophyllal

ChEBI IDCHEBI:199274
ChEBI NameCheimonophyllal
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESCC(C)C(=O)C1=C(C=O)[C@@H]2CC[C@@](C)(O)[C@@H](O)[C@@H]2O1
InChIInChI=1S/C14H20O5/c1-7(2)10(16)11-9(6-15)8-4-5-14(3,18)13(17)12(8)19-11/h6-8,12-13,17-18H,4-5H2,1-3H3/t8-,12+,13-,14+/m0/s1
InChIKeySUDADFKUVQZYFC-ZLCVWYCYSA-N
Species of MetaboliteComponentSourceComments
Nothopanus candidissimus (ncbitaxon:181981) - PubMed (8002392)
ChEBI Ontology
Outgoing Relation(s)
Cheimonophyllal (CHEBI:199274) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3aS,6R,7S,7aR)-6,7-dihydroxy-6-methyl-2-(2-methylpropanoyl)-4,5,7,7a-tetrahydro-3aH-1-benzouran-3-carbaldehyde
Manual XrefsDatabases
8598579ChemSpider