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CHEBI:66831 - Celafolin A-1

ChEBI IDCHEBI:66831
ChEBI NameCelafolin A-1
Stars
DefinitionA natural product found in Celastrus orbiculatus and Celastrus stephanotiifolius.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H38O7
Net Charge0
Average Mass546.660
Monoisotopic Mass546.26175
SMILES[H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)CC[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C33H38O7/c1-21-16-18-26(37-22(2)34)32(5)27(38-30(36)24-14-10-7-11-15-24)20-25-29(33(21,32)40-31(25,3)4)39-28(35)19-17-23-12-8-6-9-13-23/h6-15,17,19,21,25-27,29H,16,18,20H2,1-5H3/b19-17+/t21-,25-,26+,27+,29-,32+,33-/m1/s1
InChIKeyHYPWFAUBYBMXNJ-DMRFDBRWSA-N
Species of MetaboliteComponentSourceComments
Celastrus orbiculatus (ncbitaxon:85181) root (BTO:0001188) PubMed (9461657)
Celastrus stephanotiifolius (IPNI:160523-1) seed (BTO:0001226) PubMed (8350085)
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)
Celafolin A-1 (CHEBI:66831) has role metabolite (CHEBI:25212)
Celafolin A-1 (CHEBI:66831) is a sesquiterpenoid (CHEBI:26658)
Synonyms  Source
1beta-acetoxy-9alpha-benzoyloxy-6alpha-cinnamoyloxy-dihydro-beta-agarofuranChEBI
(1S,2R,5S,6S,7S,9R,12R)-5-Acetoxy-2,6,10,10-tetramethyl-12-{[(2E)-3-phenyl-2-propenoyl]oxy}-11-oxatricyclo[7.2.1.0[1,6]]dodec-7-yl benzoateChEBI
Citations