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CHEBI:205872 - Annullatin A

ChEBI IDCHEBI:205872
ChEBI NameAnnullatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILESCCCCCc1ccc2c(c1C=O)O[C@@H](C(C)(C)O)C2
InChIInChI=1S/C17H24O3/c1-4-5-6-7-12-8-9-13-10-15(17(2,3)19)20-16(13)14(12)11-18/h8-9,11,15,19H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyPWIFGZZYACPMJL-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Cordyceps (ncbitaxon:45234) - DOI (10.1016/j.tetlet.2012.02.088)
ChEBI Ontology
Outgoing Relation(s)
Annullatin A (CHEBI:205872) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2R)-2-(2-hydroxypropan-2-yl)-6-pentyl-2,3-dihydro-1-benzouran-7-carbaldehyde
Manual XrefsDatabases
28289812ChemSpider