CHEBI:68088 - Grandilodine B, (rel)-

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Grandilodine B, (rel)-
ChEBI ID CHEBI:68088
Definition A natural product found in Kopsia grandifolia.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H26N2O7
Net Charge 0
Average Mass 454.47240
Monoisotopic Mass 454.17400
InChI InChI=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
InChIKey VOHFPFMHDXIAOK-JUJUEEDWSA-N
SMILES COC(=O)[C@H]1C[C@@]23CC[C@@]11N(C(=O)OC)c4ccccc4[C@]1(CCN2C(=O)C=C3)C(=O)OC
Metabolite of Species Details
Kopsia grandifolia (IPNI:60436655-2) Found in stem (BTO:0001300). Previous component: stem bark; stembark extract See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Grandilodine B, (rel)- (CHEBI:68088) has role metabolite (CHEBI:25212)
Grandilodine B, (rel)- (CHEBI:68088) is a indolyl carboxylic acid (CHEBI:46867)
Citation Waiting for Citations Type Source
21428274 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:carbonyl compound(CHEBI:36586); ISA:aralkylamine(CHEBI:18000); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:pyrroline(CHEBI:23763); ISA:carboxamide(CHEBI:37622); ISA:carbamate ester(CHEBI:23003); ISA:tertiary amine(CHEBI:32876); ISA:lactam(CHEBI:24995); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698);