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CHEBI:181610 - (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 IDCHEBI:181610
ChEBI Name(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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H41NO7
Net Charge0
Average Mass479.614
Monoisotopic Mass479.28830
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]12[C@@H](O)[C@]1([H])[C@@]4(COC)CC[C@H](OC)[C@@]31[C@@]2([H])N(CC)C4
InChIInChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKeyXTLROSDJDZHIIK-TULAMMLGSA-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)
(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)
(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) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name 
(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