CHEBI:182962 - (1R,9R,12R,13S,14R,16S,18R)-13-Ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

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ChEBI Name (1R,9R,12R,13S,14R,16S,18R)-13-Ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
ChEBI ID CHEBI:182962
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H26N2O2
Net Charge 0
Average Mass 326.440
Monoisotopic Mass 326.19943
InChI InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14?,15-,16?,17-,18?,19+,20+/m0/s1
InChIKey CJDRUOGAGYHKKD-VXARLCFTSA-N
SMILES OC1[C@@]23[C@@](N(C=4C2=CC=CC4)C)(C5N6[C@](C1[C@@](C5)([C@@H]([C@H]6O)CC)[H])(C3)[H])[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (1R,9R,12R,13S,14R,16S,18R)-13-Ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol (CHEBI:182962) is a indole alkaloid (CHEBI:38958)
IUPAC Name
(1R,9R,12R,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Manual Xrefs Databases
23718299 ChemSpider
C06542 KEGG COMPOUND
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