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CHEBI:181119 - (1R,1'R,10S,11S,12S,13'S,14'R)-12,14'-Diethylspiro[8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene-10,10'-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,12(21)-tetraene]

ChEBI IDCHEBI:181119
ChEBI Name(1R,1'R,10S,11S,12S,13'S,14'R)-12,14'-Diethylspiro[8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene-10,10'-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,12(21)-tetraene]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H44N4
Net Charge0
Average Mass556.798
Monoisotopic Mass556.35660
SMILES[H][C@@]12CC3N(CC[C@]34C(=Nc3ccccc34)[C@@]13CC1=C4N(C3)c3ccccc3[C@@]43CCN4C[C@H](CC)[C@]1([H])CC43)C[C@H]2CC
InChIInChI=1S/C38H44N4/c1-3-23-20-40-15-13-37-28-10-6-8-12-31(28)42-22-36(19-26(34(37)42)25(23)17-32(37)40)29-18-33-38(14-16-41(33)21-24(29)4-2)27-9-5-7-11-30(27)39-35(36)38/h5-12,23-25,29,32-33H,3-4,13-22H2,1-2H3/t23-,24+,25-,29-,32?,33?,36+,37+,38+/m0/s1
InChIKeyNIWAAJOAUHCXJR-NFVNWSNNSA-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)
(1R,1'R,10S,11S,12S,13'S,14'R)-12,14'-Diethylspiro[8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene-10,10'-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,12(21)-tetraene] (CHEBI:181119) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1R,1'R,10S,11S,12S,13'S,14'R)-12,14'-diethylspiro[8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene-10,10'-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,12(21)-tetraene]