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CHEBI:215856 - Emericellene C

ChEBI IDCHEBI:215856
ChEBI NameEmericellene C
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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]2CC=C(CO)[C@@H]1CC/C(C)=C/CC/C(C)=C/C2
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/h7,9-10,12,22-23,26H,5-6,8,11,13-17H2,1-4H3,(H,27,28)/b19-10+,20-9+/t22-,23-,25-/m0/s1
InChIKeyVTVOECPLLGAWIX-DUTTXHMOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24251417)
ChEBI Ontology
Outgoing Relation(s)
Emericellene C (CHEBI:215856) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,3E,7E,11S,15S)-12-(hydroxymethyl)-4,8-dimethyl-15-(4-methylpent-3-enyl)bicyclo[9.3.1]pentadeca-3,7,12-triene-15-carboxylic acid
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78442784ChemSpider