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beta-Patchoulene

PropertiesImage
MNX_IDMNXM22514 Image of MNXM22514
referencehmdb:HMDB0036736
formulaC15H24
global charge0
mol weight204.357
InChIKeyCSKINCSXMLCMAR-UHFFFAOYSA-N
InChIInChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3
SMILESCC1CCC2=C1CC1CCC2(C)C1(C)C
MNX internals
InChI (mnx)InChI=1/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10?,11?,15? Image of MNXM22514
SMILES (mnx)[C:1]12=[C:6]([CH:4]([CH3:5])[CH2:3][CH2:2]1)[CH2:7][CH:8]1[CH2:9][CH2:10][C:11]2([CH3:12])[C:14]1([CH3:13])[CH3:15]
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
hmdb:HMDB0036736
CSKINCSXMLCMAR-UHFFFAOYSA-N 		beta-Patchoulene
1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene, 9ci
1,5,11,11-tetramethyltricyclo[6.2.1.0²,⁶]undec-2(6)-ene
b-Patchoulene
beta-patchoulene

metacyc.compound:CPD-11414
metacycM:CPD-11414
seed.compound:cpd22944
seedM:cpd22944
CSKINCSXMLCMAR-UHFFFAOYSA-N 		beta-patchoulene

hmdb:HMDB36736
seedM:M_cpd22944 		secondary/obsolete/fantasy identifier