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CHEBI:67955 - Casearupestrin A, (rel)-

ChEBI IDCHEBI:67955
ChEBI NameCasearupestrin A, (rel)-
Stars
DefinitionA natural product found in Casearia rupestris.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H48O9
Net Charge0
Average Mass600.749
Monoisotopic Mass600.32983
SMILES[H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]31[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)CCC(=C)C=C
InChIInChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(38)42-30-29(39)22(4)33(7,18-17-21(3)9-2)27-20-25(37)19-26-31(40-23(5)35)43-32(34(26,27)30)41-24(6)36/h9,13-16,19,22,25,27,29-32,37,39H,2-3,8,10-12,17-18,20H2,1,4-7H3/b14-13+,16-15-/t22-,25+,27+,29-,30+,31+,32+,33-,34-/m1/s1
InChIKeyNWTYSAQBDRQWLF-WWRGVMLBSA-N
Species of MetaboliteComponentSourceComments
Casearia rupestris (IPNI:48080-2) leaf (BTO:0000713) PubMed (21381705) Diethyl ether phase of the ethanolic extract of dried, ground, macerated leaves
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)
Casearupestrin A, (rel)- (CHEBI:67955) has role metabolite (CHEBI:25212)
Casearupestrin A, (rel)- (CHEBI:67955) is a naphthofuran (CHEBI:39270)
Citations