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CHEBI:217875 - Pestalustaine A

ChEBI IDCHEBI:217875
ChEBI NamePestalustaine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@]12C=C[C@@H](O)[C@]3(CO)[C@H](C1)C[C@](C)(CO)[C@@H]3C2
InChIInChI=1S/C15H24O3/c1-13-4-3-12(18)15(9-17)10(5-13)6-14(2,8-16)11(15)7-13/h3-4,10-12,16-18H,5-9H2,1-2H3/t10-,11+,12-,13+,14-,15-/m1/s1
InChIKeyDIUIQBFYLNYRSD-ARSDKDGVSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis adusta (ncbitaxon:173179) - DOI (10.1016/j.tetlet.2018.03.078)
ChEBI Ontology
Outgoing Relation(s)
Pestalustaine A (CHEBI:217875) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,2R,3R,6S,8S,9S)-2,9-bis(hydroxymethyl)-6,9-dimethyltricyclo[4.4.1.02,8]undec-4-en-3-ol
Manual XrefsDatabases
78441774ChemSpider