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beta-copaene

PropertiesImage
MNX_IDMNXM22503 Image of MNXM22503
referencechebi:64799
formulaC15H24
global charge0
mol weight204.357
InChIKeyUPVZPMJSRSWJHQ-XIQJJJERSA-N
InChIInChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1
SMILESC=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C
MNX internals
InChI (mnx)InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1 Image of MNXM22503
SMILES (mnx)[CH3:1][CH:9]([CH3:2])[C@@H:11]1[CH2:7][CH2:8][C@@:15]2([CH3:4])[C@H:12]3[CH2:6][CH2:5][C:10](=[CH2:3])[CH:14]2[C@@H:13]13
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64799
chebi:64799
UPVZPMJSRSWJHQ-XIQJJJERSA-N 		beta-copaene
(1S,6S,7S,8S)-1-methyl-3-methylene-8-(propan-2-yl)-tricyclo[4.4.0.0(2,7)]decane
(1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylenetricyclo[4.4.0.0(2,7)]decane

kegg.compound:C20274
keggC:C20274
UPVZPMJSRSWJHQ-XIQJJJERSA-N 		beta-Copaene
hmdb:HMDB0302503
UPVZPMJSRSWJHQ-XIQJJJERSA-N 		beta-Copaene
(1S,6S,7S,8S)-1-methyl-3-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]decane
(1S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.0(2,7)]decane
(1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylidenetricyclo[4.4.0.0²,⁷]decane
b-Copaene
beta-copaene

metacyc.compound:CPD-8740
metacycM:CPD-8740
UPVZPMJSRSWJHQ-XIQJJJERSA-N 		beta-copaene

seed.compound:cpd25405
seedM:cpd25405
UPVZPMJSRSWJHQ-XIQJJJERSA-N 		beta-copaene
beta-Copaene

keggC:M_C20274
seedM:M_cpd25405 		secondary/obsolete/fantasy identifier