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beta-copaene

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1373457

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₅H₂₄

charge

mass

204.357

reference

InChIKey

UPVZPMJSRSWJHQ-XIQJJJERSA-N

InChI

InChI=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

SMILES

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64799 chebi:64799	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	beta-Copaene
hmdb:HMDB0302503	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
seed.compound:cpd25405 seedM:cpd25405	beta-copaene beta-Copaene
keggC:M_C20274 seedM:M_cpd25405	secondary/obsolete/fantasy identifier