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CHEBI:182381 - Anthraniloyllycoctonine

ChEBI IDCHEBI:182381
ChEBI NameAnthraniloyllycoctonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46N2O8
Net Charge0
Average Mass586.726
Monoisotopic Mass586.32542
SMILESCCN1CC2(COC(=O)c3ccccc3N)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14
InChIInChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3
InChIKeyNNDHDYDFEDRMGH-UHFFFAOYSA-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)
Anthraniloyllycoctonine (CHEBI:182381) has functional parent aconitane (CHEBI:35911)
Anthraniloyllycoctonine (CHEBI:182381) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name 
(11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-aminobenzoate
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