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isopimara-7,15-dienal

MNXM3623 is deprecated and here replaced by MNXM734844
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734844 Image of MNXM734844
referencechebi:52485
formulaC20H30O
global charge0
mol weight286.459
InChIKeyNLLZQKHFTCHPED-VYJAJWGXSA-N
InChIInChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1
SMILESC=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C=O)C1
MNX internals
InChI (mnx)InChI=1/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1 Image of MNXM734844
SMILES (mnx)[CH2:1]=[CH:5][C@@:18]1([CH3:2])[CH2:12][CH2:9][C@H:16]2[C:15](=[CH:7][CH2:8][C@H:17]3[C@:19]([CH3:3])([CH:14]=[O:21])[CH2:10][CH2:6][CH2:11][C@:20]23[CH3:4])[CH2:13]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)45
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52485
chebi:52485
lipidmaps:LMPR0104080009
lipidmapsM:LMPR0104080009
NLLZQKHFTCHPED-VYJAJWGXSA-N 		isopimara-7,15-dienal
(13S)-pimara-7,15-dien-18-al
(1R,4aR,4bS,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
isopimaral
isopimarinal

sabiork.compound:28092
sabiorkM:28092
NLLZQKHFTCHPED-VYJAJWGXSA-N 		Isopimara-7,15-dienal

kegg.compound:C18222
keggC:C18222
NLLZQKHFTCHPED-VYJAJWGXSA-N 		Isopimaradienal

seed.compound:cpd19490
seedM:cpd19490
NLLZQKHFTCHPED-VYJAJWGXSA-N 		Isopimaradienal
isopimara-7,15-dienal
isopimaradienal

metacyc.compound:CPD-8728
metacycM:CPD-8728
NLLZQKHFTCHPED-KEGXSBDUSA-N 		isopimara-7,15-dienal
isopimaradienal

keggC:M_C18222
seedM:M_cpd19490 		secondary/obsolete/fantasy identifier