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CHEBI:66834 - Triptogelin C-1

ChEBI IDCHEBI:66834
ChEBI NameTriptogelin C-1
Stars
DefinitionA natural product found particularly in Celastrus orbiculatus and Tripterygium wilfordii regelii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H36O9
Net Charge0
Average Mass516.587
Monoisotopic Mass516.23593
SMILES[H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O
InChIInChI=1S/C28H36O9/c1-15-13-21(33-16(2)29)24(35-18(4)31)27(7)22(36-25(32)19-11-9-8-10-12-19)14-20-23(34-17(3)30)28(15,27)37-26(20,5)6/h8-12,15,20-24H,13-14H2,1-7H3/t15-,20-,21+,22+,23-,24+,27-,28-/m1/s1
InChIKeyBGJHHQRHKDDKIR-OKPVOZINSA-N
Species of MetaboliteComponentSourceComments
Celastrus stephanotiifolius (IPNI:160523-1) seed (BTO:0001226) PubMed (8350085)
Tripterygium wilfordii regelii (IPNI:162907-1) - DOI (10.1016/0031-9422(90)85349-K)
Celastrus orbiculatus (ncbitaxon:85181) root (BTO:0001188) PubMed (10346948)
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)
Triptogelin C-1 (CHEBI:66834) has role metabolite (CHEBI:25212)
Triptogelin C-1 (CHEBI:66834) is a sesquiterpenoid (CHEBI:26658)
Synonyms  Source
(1S,2R,4S,5R,6R,7S,9R,12R)-4,5,12-Triacetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl benzoateChEBI
1beta,2-beta,6alpha-triacetoxy-9alpha-benzoyloxy-dihydro-beta-agarofuranChEBI
Citations