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(+)-nootkatone

PropertiesImage
MNX_IDMNXM64894 Image of MNXM64894
referencechebi:81377
formulaC15H22O
global charge0
mol weight218.34
InChIKeyWTOYNNBCKUYIKC-JMSVASOKSA-N
InChIInChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
SMILESC=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1
MNX internals
InChI (mnx)InChI=1/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1 Image of MNXM64894
SMILES (mnx)[CH2:1]=[C:10]([CH3:2])[C@@H:12]1[CH2:5][CH2:6][C:13]2=[CH:8][C:14](=[O:16])[CH2:7][C@@H:11]([CH3:3])[C@:15]2([CH3:4])[CH2:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81377
chebi:81377
WTOYNNBCKUYIKC-JMSVASOKSA-N 		(+)-nootkatone
(4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
nootkatone

metacyc.compound:CPD-18925
metacycM:CPD-18925
WTOYNNBCKUYIKC-JMSVASOKSA-N 		(+)-nootkatone

kegg.compound:C17914
keggC:C17914
WTOYNNBCKUYIKC-JMSVASOKSA-N 		Nootkatone

seed.compound:cpd17903
seedM:cpd17903
WTOYNNBCKUYIKC-JMSVASOKSA-N 		Nootkatone
(+)-nootkatone

envipath:...7bceca48a38f
envipathM:...7bceca48a38f
WTOYNNBCKUYIKC-JMSVASOKSA-N 		compound 0282666

keggC:M_C17914
seedM:M_cpd17903 		secondary/obsolete/fantasy identifier