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CHEBI:207492 - Preubetailide D

ChEBI IDCHEBI:207492
ChEBI NamePreubetailide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O4
Net Charge0
Average Mass396.527
Monoisotopic Mass396.23006
SMILESCC(=O)CC1=C(C)C=C2C[C@@H](C)C(=O)[C@@H](C)[C@@H]2[C@H]1/C=C(C)/C=C(C)\C=C\C(=O)O
InChIInChI=1S/C25H32O4/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/h7-11,17,19,22,24H,12-13H2,1-6H3,(H,27,28)/b8-7+,14-9-,15-10+/t17-,19+,22+,24+/m1/s1
InChIKeyMSPOBTULOAJOIR-FFGGKKJLSA-N
Species of MetaboliteComponentSourceComments
Preussia similis (ncbitaxon:269685) - PubMed (28398049)
ChEBI Ontology
Outgoing Relation(s)
Preubetailide D (CHEBI:207492) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E,4Z,6E)-7-[(1R,6R,8S,8aS)-3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
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78438952ChemSpider