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CHEBI:67958 - Casearupestrin D, (rel)-

ChEBI IDCHEBI:67958
ChEBI NameCasearupestrin D, (rel)-
Stars
DefinitionA natural product found in Casearia rupestris.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H50O10
Net Charge0
Average Mass642.786
Monoisotopic Mass642.34040
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(C)=O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@H](C)[C@@]2(C)CCC(=C)C=C
InChIInChI=1S/C36H50O10/c1-9-11-12-13-14-15-16-17-30(41)45-31-23(4)35(8,19-18-22(3)10-2)29-21-27(40)20-28-33(43-25(6)38)46-34(44-26(7)39)36(28,29)32(31)42-24(5)37/h10,14-17,20,23,27,29,31-34,40H,2-3,9,11-13,18-19,21H2,1,4-8H3/b15-14+,17-16-/t23-,27+,29+,31-,32+,33+,34+,35-,36-/m1/s1
InChIKeyKAIWHFAEAXEXOF-PDNIMGFCSA-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 D, (rel)- (CHEBI:67958) has role metabolite (CHEBI:25212)
Casearupestrin D, (rel)- (CHEBI:67958) is a naphthofuran (CHEBI:39270)
Citations