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CHEBI:67957 - Casearupestrin C, (rel)-

ChEBI IDCHEBI:67957
ChEBI NameCasearupestrin C, (rel)-
Stars
DefinitionA natural product found in Casearia rupestris.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H48O8
Net Charge0
Average Mass572.739
Monoisotopic Mass572.33492
SMILES[H][C@@]12C[C@@H](O)C=C3[C@@H](OC)O[C@H](OC(C)=O)[C@]31[C@@H](O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@H](C)[C@@]2(C)CCC(=C)C=C
InChIInChI=1S/C33H48O8/c1-8-10-11-12-13-14-15-16-27(36)40-28-22(4)32(6,18-17-21(3)9-2)26-20-24(35)19-25-30(38-7)41-31(39-23(5)34)33(25,26)29(28)37/h9,13-16,19,22,24,26,28-31,35,37H,2-3,8,10-12,17-18,20H2,1,4-7H3/b14-13+,16-15-/t22-,24+,26+,28-,29+,30+,31+,32-,33-/m1/s1
InChIKeyIIKQVONZJJQKFU-LMANASGISA-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 C, (rel)- (CHEBI:67957) has role metabolite (CHEBI:25212)
Casearupestrin C, (rel)- (CHEBI:67957) is a naphthofuran (CHEBI:39270)
Citations