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3beta-hydroxy-beta-cyclocitral

PropertiesImage
MNX_IDMNXM4177 Image of MNXM4177
referencechebi:53167
formulaC10H16O2
global charge0
mol weight168.236
InChIKeySWPMTVXRLXPNDP-MRVPVSSYSA-N
InChIInChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h6,8,12H,4-5H2,1-3H3/t8-/m1/s1
SMILESCC1=C(C=O)C(C)(C)C[C@H](O)C1
MNX internals
InChI (mnx)InChI=1/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h6,8,12H,4-5H2,1-3H3/t8-/m1/s1 Image of MNXM4177
SMILES (mnx)[CH3:1][C:7]1=[C:9]([CH:6]=[O:11])[C:10]([CH3:2])([CH3:3])[CH2:5][C@H:8]([OH:12])[CH2:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:53167
chebi:53167
SWPMTVXRLXPNDP-MRVPVSSYSA-N 		3beta-hydroxy-beta-cyclocitral
(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
hydroxy-beta-cyclocitral

seed.compound:cpd20978
seedM:cpd20978
SWPMTVXRLXPNDP-MRVPVSSYSA-N 		(3S)-3-Hydroxycyclocitral
(3S)-3-hydroxycyclocitral
(3S)-hydroxy-beta-cyclocitral
3beta-hydroxy-beta-cyclocitral

kegg.compound:C19731
keggC:C19731
SWPMTVXRLXPNDP-MRVPVSSYSA-N 		(3S)-3-Hydroxycyclocitral
(4R)-4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-carboxaldehyde
3beta-Hydroxy-beta-cyclocitral
hmdb:HMDB0303972
SWPMTVXRLXPNDP-MRVPVSSYSA-N 		(3S)-3-hydroxycyclocitral
(3S)-3-Hydroxycyclocitral
(4R)-4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-carboxaldehyde
(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
3b-Hydroxy-b-cyclocitral
3beta-Hydroxy-beta-cyclocitral
3beta-hydroxy-beta-cyclocitral
Hydroxy-b-cyclocitral
Hydroxy-beta-cyclocitral
hydroxy-beta-cyclocitral

metacyc.compound:CPD-8661
metacycM:CPD-8661
SWPMTVXRLXPNDP-MRVPVSSYSA-N 		3beta-hydroxy-beta-cyclocitral
(3S)-3-hydroxycyclocitral
(3S)-hydroxy-beta-cyclocitral

keggC:M_C19731
seedM:M_cpd20978 		secondary/obsolete/fantasy identifier