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CHEBI:198462 - Italicene

ChEBI IDCHEBI:198462
ChEBI NameItalicene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=C[C@@H]2C(C)(C)[C@H]3CC[C@H](C)[C@@]23CC1
InChIInChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12+,13+,15+/m0/s1
InChIKeyBWAXOYJGXIEEOE-KYEXWDHISA-N
Species of MetaboliteComponentSourceComments
Aspergillus candidus (ncbitaxon:41067) - DOI (10.1016/s0045-6535(99)00015-6)
ChEBI Ontology
Outgoing Relation(s)
Italicene (CHEBI:198462) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1R,2S,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene
Manual XrefsDatabases
78436359ChemSpider