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CHEBI:217142 - Oblongolide S

ChEBI IDCHEBI:217142
ChEBI NameOblongolide S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC[C@H]1CC[C@H]2[C@@H](C=C[C@](O)(CO)[C@]2(C)C(=O)O)C1
InChIInChI=1S/C14H22O4/c1-9-3-4-11-10(7-9)5-6-14(18,8-15)13(11,2)12(16)17/h5-6,9-11,15,18H,3-4,7-8H2,1-2H3,(H,16,17)/t9-,10-,11-,13-,14-/m0/s1
InChIKeyFZRGBRUALMSYII-GRLWGSQLSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1002/ejoc.200801021)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide S (CHEBI:217142) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,2R,4aR,6S,8aS)-2-hydroxy-2-(hydroxymethyl)-1,6-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Manual XrefsDatabases
78438651ChemSpider