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9beta-pimara-7,15-dien-19-al

PropertiesImage
MNX_IDMNXM2959 Image of MNXM2959
referencechebi:63658
formulaC20H30O
global charge0
mol weight286.459
InChIKeyNLLZQKHFTCHPED-USYVTKNRSA-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-/m1/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-/m1/s1 Image of MNXM2959
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)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63658
chebi:63658
NLLZQKHFTCHPED-USYVTKNRSA-N 		9beta-pimara-7,15-dien-19-al
(1S,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carbaldehyde
(9beta)-pimara-7,15-dien-19-al
syn-pimara-7,15-dien-19-al

metacyc.compound:CPD-13922
metacycM:CPD-13922
NLLZQKHFTCHPED-USYVTKNRSA-N 		(-)-9beta-pimara-7,15-dien-19-al

kegg.compound:C20148
keggC:C20148
NLLZQKHFTCHPED-USYVTKNRSA-N 		9beta-Pimara-7,15-dien-19-al

seed.compound:cpd21381
seedM:cpd21381
NLLZQKHFTCHPED-USYVTKNRSA-N 		9beta-Pimara-7,15-dien-19-al
(-)-9beta-pimara-7,15-dien-19-al

keggC:M_C20148
seedM:M_cpd21381 		secondary/obsolete/fantasy identifier