CHEBI:66834 - Triptogelin C-1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Triptogelin C-1
ChEBI ID CHEBI:66834
Definition A natural product found particularly in Celastrus orbiculatus and Tripterygium wilfordii regelii.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H36O9
Net Charge 0
Average Mass 516.58000
Monoisotopic Mass 516.23593
InChI InChI=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
InChIKey BGJHHQRHKDDKIR-OKPVOZINSA-N
SMILES [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O)OC(C)=O
Metabolite of Species Details
Celastrus stephanotiifolius (IPNI:160523-1) Found in seed (BTO:0001226). See: PubMed
Tripterygium wilfordii regelii (IPNI:162907-1) See: DOI
Celastrus orbiculatus (NCBI:txid85181) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Triptogelin C-1 (CHEBI:66834) has role metabolite (CHEBI:25212)
Triptogelin C-1 (CHEBI:66834) is a sesquiterpenoid (CHEBI:26658)
Synonyms Sources
(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 benzoate ChEBI
1beta,2-beta,6alpha-triacetoxy-9alpha-benzoyloxy-dihydro-beta-agarofuran ChEBI
Citations Waiting for Citations Types Sources
10346948 PubMed citation Europe PMC
8350085 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzoate ester(CHEBI:36054); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:oxacycle(CHEBI:38104); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);