Concept information
Preferred term
N deethylaconene
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C22H35NO6
has_parent_hydride
has_role
inchi
- InChI=1S/C22H35NO6/c1-27-9-20-5-4-13(29-3)22-11-6-10-12(28-2)7-21(26,14(11)16(10)24)15(17(25)18(20)22)19(22)23-8-20/h10-19,23-26H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15+,16+,17+,18-,19?,20+,21-,22+/m1/s1
inchikey
- PDABPTYWNOHVBF-NIAAMCKKSA-N
mass
- 409.517
monoisotopicmass
- 409.24644
smiles
- [C@@]123[C@]4([C@@](CNC1[C@]([C@@H]4O)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)([H])[C@@H]6O)[H])[H])O)[H])(COC)CC[C@@H]3OC)[H]
subset
- 3_STAR
synonym EXACT
- 1alpha,16beta-dimethoxy-4-(methoxymethyl)aconitane-6alpha,8,14alpha-triol
synonym RELATED
- (1alpha,6alpha,14alpha,16beta)-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,14-triol
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:132643
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