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CHEBI:207499 - Preubetailide E

ChEBI IDCHEBI:207499
ChEBI NamePreubetailide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O4
Net Charge0
Average Mass412.570
Monoisotopic Mass412.26136
SMILESCOC(=O)/C=C/C(C)=C/C(C)=C/[C@H]1C(C[C@H](C)O)=C(C)C=C2C[C@@H](C)C(=O)[C@@H](C)[C@@H]21
InChIInChI=1S/C26H36O4/c1-15(8-9-24(28)30-7)10-16(2)11-23-22(14-19(5)27)17(3)12-21-13-18(4)26(29)20(6)25(21)23/h8-12,18-20,23,25,27H,13-14H2,1-7H3/b9-8+,15-10+,16-11+/t18-,19+,20+,23+,25+/m1/s1
InChIKeyCJDQRZHRJWJAGG-OXEMTIHYSA-N
Species of MetaboliteComponentSourceComments
Preussia similis (ncbitaxon:269685) - PubMed (28398049)
ChEBI Ontology
Outgoing Relation(s)
Preubetailide E (CHEBI:207499) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
methyl (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-trienoate
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78438953ChemSpider