CHEBI:69320 - tsangin C

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ChEBI Name tsangin C
ChEBI ID CHEBI:69320
Definition A natural product found in Beilschmiedia tsangii.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H30O9
Net Charge 0
Average Mass 462.48960
Monoisotopic Mass 462.18898
InChI InChI=1S/C24H30O9/c1-13(14(2)25)21(15-9-17(27-3)22(31-7)18(10-15)28-4)33-24(26)16-11-19(29-5)23(32-8)20(12-16)30-6/h9-13,21H,1-8H3/t13-,21-/m1/s1
InChIKey IGPMFSHAEMUEMC-LRTDBIEQSA-N
SMILES COc1cc(cc(OC)c1OC)[C@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)[C@H](C)C(C)=O
Metabolite of Species Details
Beilschmiedia tsangii (IPNI:462970-1) Found in root (BTO:0001188). Cold MeOH extract of dry and sliced roots See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 tsangin C (CHEBI:69320) has role metabolite (CHEBI:25212)
tsangin C (CHEBI:69320) is a trihydroxybenzoic acid (CHEBI:27115)
Synonym Source
[(1R,2S)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl]3,4,5-trimethoxybenzoate ChEBI
Citation Waiting for Citations Type Source
21846089 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:methoxybenzoic acid(CHEBI:25238); ISA:carboxylic ester(CHEBI:33308); HFP:benzyl alcohol(CHEBI:17987); ISA:benzoate ester(CHEBI:36054); ISA:alkylbenzene(CHEBI:38976); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:2-oxo aldehyde(CHEBI:27659); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ketone(CHEBI:17087); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);