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CHEBI:68893 - Grahamine D, (rel)-

ChEBI IDCHEBI:68893
ChEBI NameGrahamine D, (rel)-
Stars
DefinitionA natural product found in Schizanthus grahamii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC43H59N3O10
Net Charge0
Average Mass777.956
Monoisotopic Mass777.42005
SMILES[H][C@]12C[C@H](OC(=O)C3C(c4ccccc4)C(C(=O)O[C@@H]4C[C@]5([H])C[C@@H](O)C[C@@]4([H])N5C)C3(C)C(=O)O[C@@H]3C[C@]4([H])C[C@@H](O)C[C@@]3([H])N4C)C[C@]([H])([C@H](OC(=O)/C(C)=C\C)C1)N2C
InChIInChI=1S/C43H59N3O10/c1-7-22(2)39(49)54-34-18-26-15-29(21-32(34)46(26)6)53-40(50)37-36(23-11-9-8-10-12-23)38(41(51)55-33-16-24-13-27(47)19-30(33)44(24)4)43(37,3)42(52)56-35-17-25-14-28(48)20-31(35)45(25)5/h7-12,24-38,47-48H,13-21H2,1-6H3/b22-7-/t24-,25-,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36?,37?,38?,43?/m0/s1
InChIKeyBAWQSJNAIYVRIL-DGXFYYPGSA-N
Species of MetaboliteComponentSourceComments
Schizanthus grahamii (ncbitaxon:360628) aerial part (BTO:0001658) PubMed (22047009) Ethanolic extract of dried and powdered aerial parts
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)
Grahamine D, (rel)- (CHEBI:68893) has functional parent tetracarboxylic acid (CHEBI:35742)
Grahamine D, (rel)- (CHEBI:68893) has role metabolite (CHEBI:25212)
Grahamine D, (rel)- (CHEBI:68893) is a organooxygen compound (CHEBI:36963)
Synonym  Source
rel-1,2-bis{[(3alpha-hydroxytropo-6beta-yl)oxy]carbonyl}-2-methyl-3-{[((6beta-angeloyloxy)-3alpha-yl)oxy]carbonyl}-4-phenylcyclobutanecarboxylateChEBI
Citations