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CHEBI:203354 - Botryslactone

Default Structure
ChEBI IDCHEBI:203354
ChEBI NameBotryslactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O4
Net Charge0
Average Mass304.386
Monoisotopic Mass304.16746
SMILESCc1ccc2c(c1[C@@H]1C[C@@H](O)C(=O)O1)[C@@](C)(CO)CC2(C)C
InChIInChI=1S/C18H24O4/c1-10-5-6-11-15(18(4,9-19)8-17(11,2)3)14(10)13-7-12(20)16(21)22-13/h5-6,12-13,19-20H,7-9H2,1-4H3/t12-,13+,18-/m1/s1
InChIKeyOQVJMFXCPCQPLG-FHSNZYRGSA-N
Species of MetaboliteComponentSourceComments
Botrytis squamosa (ncbitaxon:139640) - DOI (10.1016/0040-4039(95)01609-l)
ChEBI Ontology
Outgoing Relation(s)
Botryslactone (CHEBI:203354) is a indanes (CHEBI:46940)
IUPAC Name 
(3R,5S)-3-hydroxy-5-[(3S)-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2H-inden-4-yl]oxolan-2-one
Manual XrefsDatabases
8956141ChemSpider