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CHEBI:69145 - lumutinine B

ChEBI IDCHEBI:69145
ChEBI Namelumutinine B
Stars
DefinitionA natural product found in Alstonia macrophylla.
Last Modified22 September 2014
DownloadsMolfile
FormulaC42H48N4O4
Net Charge0
Average Mass672.870
Monoisotopic Mass672.36756
SMILES[H][C@@]12C[C@@]3([H])c4c(c5ccccc5n4C)C[C@]([H])(N3C)[C@]1([H])CO[C@@]1(C)Oc3ccc4c5c(n(C)c4c3C[C@]12[H])[C@]1([H])C[C@@]2([H])C(C(C)=O)=COC[C@@]2([H])[C@]([H])(C5)N1C
InChIInChI=1S/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)14-36-41-27(17-34(30)43(36)3)23-11-12-38-28(39(23)46(41)6)13-32-25-15-37-40-26(22-9-7-8-10-33(22)45(40)5)16-35(44(37)4)31(25)20-49-42(32,2)50-38/h7-12,18,24-25,30-32,34-37H,13-17,19-20H2,1-6H3/t24-,25+,30+,31+,32-,34-,35-,36-,37-,42-/m0/s1
InChIKeyDNJGHPRRCVYEAK-USFITAIASA-N
Species of MetaboliteComponentSourceComments
Alstonia macrophylla (ncbitaxon:693366) stem (BTO:0001300) PubMed (22148233) Previous component: stem bark;
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
lumutinine B (CHEBI:69145) has role metabolite (CHEBI:25212)
lumutinine B (CHEBI:69145) is a indole alkaloid (CHEBI:38958)
Citations