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CHEBI:35911 - aconitane

ChEBI IDCHEBI:35911
ChEBI Nameaconitane
Stars
Last Modified14 December 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H27N
Net Charge0
Average Mass257.421
Monoisotopic Mass257.21435
SMILES[H][C@@]12CC[C@@]3([H])[C@@]([H])(C1)[C@@]([H])(C2)[C@@]12CCC[C@H]4CNC1[C@]3([H])C[C@]42[H]
InChIInChI=1S/C18H27N/c1-2-11-9-19-17-14-8-15(11)18(17,5-1)16-7-10-3-4-12(14)13(16)6-10/h10-17,19H,1-9H2/t10-,11+,12+,13-,14-,15-,16-,17?,18+/m1/s1
InChIKeyYGJXLMNSTLJAMX-GCUFGPJWSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
aconitane (CHEBI:35911) is a diterpene alkaloid (CHEBI:23847)
aconitane (CHEBI:35911) is a terpene alkaloid fundamental parent (CHEBI:38525)
Incoming Relation(s)
(1S,2R,3R,4S,5R,6S,8R,12S,13R,16S,19S,20R,21S)-14-Ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol (CHEBI:181610) has functional parent aconitane (CHEBI:35911)
[8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate (CHEBI:182848) has functional parent aconitane (CHEBI:35911)
11-Ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol (CHEBI:181706) has functional parent aconitane (CHEBI:35911)
8-Methyllycoctonine (CHEBI:229039) has functional parent aconitane (CHEBI:35911)
Aconitin cristallisat (CHEBI:181261) has functional parent aconitane (CHEBI:35911)
aconitine (CHEBI:2430) has functional parent aconitane (CHEBI:35911)
Anthraniloyllycoctonine (CHEBI:182381) has functional parent aconitane (CHEBI:35911)
Bulleyaconitine a (CHEBI:191075) has functional parent aconitane (CHEBI:35911)
Fuziline (CHEBI:183920) has functional parent aconitane (CHEBI:35911)
Karacolidine (CHEBI:229149) has functional parent aconitane (CHEBI:35911)
Methyllycaconitine Perchlorate, Delphinium sp. (CHEBI:182007) has functional parent aconitane (CHEBI:35911)
Potanidine B (CHEBI:229193) has functional parent aconitane (CHEBI:35911)
Puberanidine (CHEBI:184092) has functional parent aconitane (CHEBI:35911)
aconifine (CHEBI:2429) has parent hydride aconitane (CHEBI:35911)
aconine (CHEBI:132639) has parent hydride aconitane (CHEBI:35911)
avadharidine (CHEBI:2934) has parent hydride aconitane (CHEBI:35911)
barbinine (CHEBI:2992) has parent hydride aconitane (CHEBI:35911)
benzoylaconine (CHEBI:132633) has parent hydride aconitane (CHEBI:35911)
benzoylhypaconine (CHEBI:132634) has parent hydride aconitane (CHEBI:35911)
benzoylmesaconine (CHEBI:132630) has parent hydride aconitane (CHEBI:35911)
browniine (CHEBI:3187) has parent hydride aconitane (CHEBI:35911)
chasmanine (CHEBI:132641) has parent hydride aconitane (CHEBI:35911)
crassicauline A (CHEBI:132638) has parent hydride aconitane (CHEBI:35911)
deltaline (CHEBI:4387) has parent hydride aconitane (CHEBI:35911)
deoxyaconitine (CHEBI:132636) has parent hydride aconitane (CHEBI:35911)
elatine (CHEBI:4768) has parent hydride aconitane (CHEBI:35911)
foresaconitine (CHEBI:132637) has parent hydride aconitane (CHEBI:35911)
foresticine (CHEBI:132642) has parent hydride aconitane (CHEBI:35911)
hokbusine A (CHEBI:132632) has parent hydride aconitane (CHEBI:35911)
hypaconine (CHEBI:132644) has parent hydride aconitane (CHEBI:35911)
isotalatizidine (CHEBI:132628) has parent hydride aconitane (CHEBI:35911)
karakoline (CHEBI:6113) has parent hydride aconitane (CHEBI:35911)
mesaconine (CHEBI:132645) has parent hydride aconitane (CHEBI:35911)
methyllycaconitine (CHEBI:43931) has parent hydride aconitane (CHEBI:35911)
N-deethylaconine (CHEBI:132643) has parent hydride aconitane (CHEBI:35911)
neojiangyouaconitine (CHEBI:132635) has parent hydride aconitane (CHEBI:35911)
neoline (CHEBI:132629) has parent hydride aconitane (CHEBI:35911)
oxonitine (CHEBI:132646) has parent hydride aconitane (CHEBI:35911)
senbusine A (CHEBI:132631) has parent hydride aconitane (CHEBI:35911)
yunaconitine (CHEBI:132640) has parent hydride aconitane (CHEBI:35911)
IUPAC Name 
aconitane