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CHEBI:68088 - Grandilodine B, (rel)-

ChEBI IDCHEBI:68088
ChEBI NameGrandilodine B, (rel)-
Stars
DefinitionA natural product found in Kopsia grandifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H26N2O7
Net Charge0
Average Mass454.479
Monoisotopic Mass454.17400
SMILESCOC(=O)[C@H]1C[C@]23C=CC(=O)N2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@]12CC3
InChIInChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22-,23-,24-/m1/s1
InChIKeyVOHFPFMHDXIAOK-JUJUEEDWSA-N
Species of MetaboliteComponentSourceComments
Kopsia grandifolia (IPNI:60436655-2) stem (BTO:0001300) PubMed (21428274) Previous component: stem bark; stembark extract
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
Grandilodine B, (rel)- (CHEBI:68088) has role metabolite (CHEBI:25212)
Grandilodine B, (rel)- (CHEBI:68088) is a indolyl carboxylic acid (CHEBI:46867)
Citations