Search MNXref
 Feedback

pentalen-13-al

MNXM2707 is deprecated and here replaced by MNXM733307
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733307 Image of MNXM733307
referencechebi:63244
formulaC15H22O
global charge0
mol weight218.34
InChIKeyJWMGZDVPJPOYGL-IKVITTDRSA-N
InChIInChI=1S/C15H22O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,8,10,12-13H,4-5,7,9H2,1-3H3/t10-,12-,13+,15-/m1/s1
SMILESC[C@@H]1CC[C@H]2C(C=O)=C[C@@H]3CC(C)(C)C[C@@]132
MNX internals
InChI (mnx)InChI=1/C15H22O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,8,10,12-13H,4-5,7,9H2,1-3H3/t10-,12-,13+,15-/m1/s1 Image of MNXM733307
SMILES (mnx)[CH3:1][C@@H:10]1[CH2:4][CH2:5][C@H:13]2[C:11]([CH:8]=[O:16])=[CH:6][C@@H:12]3[CH2:7][C:14]([CH3:2])([CH3:3])[CH2:9][C@@:15]132
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63244
chebi:63244
JWMGZDVPJPOYGL-IKVITTDRSA-N 		pentalen-13-al
(1R,3aR,5aS,8aR)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carbaldehyde

seed.compound:cpd21178
seedM:cpd21178
JWMGZDVPJPOYGL-IKVITTDRSA-N 		Pentalen-13-al
pentalen-13-al
pentalenal

metacyc.compound:CPD-13617
metacycM:CPD-13617
JWMGZDVPJPOYGL-IKVITTDRSA-N 		pentalen-13-al
pentalenal

seedM:M_cpd21178 		secondary/obsolete/fantasy identifier