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(1S,2S,4R)-beta-elemene

PropertiesImage
MNX_IDMNXM30260 Image of MNXM30260
referencechebi:62855
formulaC15H24
global charge0
mol weight204.357
InChIKeyOPFTUNCRGUEPRZ-QLFBSQMISA-N
InChIInChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C
MNX internals
InChI (mnx)InChI=1/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1 Image of MNXM30260
SMILES (mnx)[CH2:1]=[CH:7][C@:15]1([CH3:6])[CH2:9][CH2:8][C@@H:13]([C:11](=[CH2:2])[CH3:3])[CH2:10][C@H:14]1[C:12](=[CH2:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62855
chebi:62855
OPFTUNCRGUEPRZ-QLFBSQMISA-N 		(1S,2S,4R)-beta-elemene
(-)-beta-Elemene
(-)-beta-elemene
(1S,2S,4R)-(-)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane
(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane
(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane
(1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane
2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane
Levo-beta-elemene
beta-Elemen
beta-elemene

metacyc.compound:CPD-8232
metacycM:CPD-8232
OPFTUNCRGUEPRZ-QLFBSQMISA-N 		(-)-beta-elemene
1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane
2,4-diisopropenyl-1-methyl-1-vinylcyclohexane
elemene

kegg.compound:C17094
keggC:C17094
OPFTUNCRGUEPRZ-QLFBSQMISA-N 		beta-Elemene
hmdb:HMDB0061848
OPFTUNCRGUEPRZ-QLFBSQMISA-N 		beta-Elemene
(+/-)-beta-Elemene
(-)-b-Elemene
(-)-beta-Elemene
(1S,2S,4R)-(-)-1-Methyl-1-vinyl-2,4-diisopropenylcyclohexane
(1S,2S,4R)-1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
(1S,2S,4R)-1-Methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane
(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
(1S,2S,4R)-2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane
2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane
Levo-b-elemene
Levo-beta-elemene
b-Elemen
b-Elemene
beta-Elemen
beta-elemen
beta-elemene

seed.compound:cpd17350
seedM:cpd17350
OPFTUNCRGUEPRZ-QLFBSQMISA-N 		beta-Elemene
1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane
2,4-diisopropenyl-1-methyl-1-vinylcyclohexane
beta-elemene
elemene

hmdb:HMDB0035816
hmdb:HMDB35816
hmdb:HMDB61848
keggC:M_C17094
seedM:M_cpd17350 		secondary/obsolete/fantasy identifier