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CHEBI:207472 - Preubetailide A

ChEBI IDCHEBI:207472
ChEBI NamePreubetailide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESCC1=C(C[C@H](C)O)[C@H](/C=C(C)/C=C(C)/C=C/C(=O)O)[C@@H]2C(=C1)C[C@@H](C)C(=O)[C@H]2C
InChIInChI=1S/C25H34O4/c1-14(7-8-23(27)28)9-15(2)10-22-21(13-18(5)26)16(3)11-20-12-17(4)25(29)19(6)24(20)22/h7-11,17-19,22,24,26H,12-13H2,1-6H3,(H,27,28)/b8-7+,14-9+,15-10+/t17-,18+,19+,22+,24+/m1/s1
InChIKeyLMSUWCOEKCRCEB-XYOUVAGFSA-N
Species of MetaboliteComponentSourceComments
Preussia similis (ncbitaxon:269685) - PubMed (28398049)
ChEBI Ontology
Outgoing Relation(s)
Preubetailide A (CHEBI:207472) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E,4E,6E)-7-[(1R,6R,8S,8aS)-2-[(2S)-2-hydroxypropyl]-3,6,8-trimethyl-7-oxo-5,6,8,8a-tetrahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
Manual XrefsDatabases
78438949ChemSpider