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CHEBI:175354 - beta-Citraurinene

Default Structure
ChEBI IDCHEBI:175354
ChEBI Namebeta-Citraurinene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O
Net Charge0
Average Mass418.665
Monoisotopic Mass418.32357
SMILESCC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1
InChIKeyGKMHSJYLRXLVRG-QZMSTDJESA-N
ChEBI Ontology
Outgoing Relation(s)
beta-Citraurinene (CHEBI:175354) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol
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59700269ChemSpider