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CHEBI:227269 - Acaciicolin A

ChEBI IDCHEBI:227269
ChEBI NameAcaciicolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESCC1(C)CC[C@]2(O)[C@]13CCC(=O)[C@](O)(C3)[C@]2(C)O
InChIInChI=1S/C14H22O4/c1-10(2)6-7-14(18)11(3,16)13(17)8-12(10,14)5-4-9(13)15/h16-18H,4-8H2,1-3H3/t11-,12-,13+,14+/m0/s1
InChIKeyGGJREASOLWHYIN-IGQOVBAYSA-N
Species of MetaboliteComponentSourceComments
Pseudolagarobasidium acaciicola (ncbitaxon:386453) - DOI (10.1002/ejoc.201402262)
ChEBI Ontology
Outgoing Relation(s)
Acaciicolin A (CHEBI:227269) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,5S,6R,7S)-5,6,7-trihydroxy-2,2,6-trimethyltricyclo[5.3.1.01,5]undecan-8-one
Manual XrefsDatabases
34485426ChemSpider