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CHEBI:213822 - Emericellene E

ChEBI IDCHEBI:213822
ChEBI NameEmericellene E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILESCC(C)=CCC[C@]1(C(=O)O)[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1[C@@H](C=O)CC2
InChIInChI=1S/C25H38O3/c1-18(2)7-6-16-25(24(27)28)22-13-10-19(3)8-5-9-20(4)11-15-23(25)21(17-26)12-14-22/h7,9-10,17,21-23H,5-6,8,11-16H2,1-4H3,(H,27,28)/b19-10+,20-9+/t21-,22+,23+,25+/m1/s1
InChIKeyHGOFRFROKBOJJV-IZXKFPOBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24251417)
ChEBI Ontology
Outgoing Relation(s)
Emericellene E (CHEBI:213822) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3E,7E,11S,12S,15S)-12-ormyl-4,8-dimethyl-15-(4-methylpent-3-enyl)bicyclo[9.3.1]pentadeca-3,7-diene-15-carboxylic acid
Manual XrefsDatabases
78442705ChemSpider