CHEBI:67782 - Trigonosin D

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ChEBI Name Trigonosin D
ChEBI ID CHEBI:67782
Definition A natural product found in Trigonostemon thyrsoideum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H42O12
Net Charge 0
Average Mass 630.67940
Monoisotopic Mass 630.26763
InChI InChI=1S/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33+/m0/s1
InChIKey LZUPONYGHMLQEQ-KPHPJPRYSA-N
SMILES [H][C@@]12C[C@H](C)[C@H](O)[C@]11O[C@](C)([C@H]1O)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](OC(C)=O)[C@@H](C)[C@]21O)C(C)=C
Metabolite of Species Details
Trigonostemon thyrsoideum (NCBI:txid289660) Found in root (BTO:0001188). Methanolic extract of air-dried and powdered roots 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 Trigonosin D (CHEBI:67782) has role metabolite (CHEBI:25212)
Trigonosin D (CHEBI:67782) is a diterpenoid (CHEBI:23849)
Synonym Source
(1R,2S,3S,5S,6R,7R,8S,9S,10R,11S,12S,13R,15R)-8,10,12-Triacetoxy-2,6,15-trihydroxy-9-isopropenyl-3,7,13-trimethyl-14-oxatetracyclo[11.1.1.0[1,5].0[6,11]]pentadec-9-yl benzoate ChEBI
Citation Waiting for Citations Type Source
21192108 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:tertiary alcohol(CHEBI:26878); ISA:2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol(CHEBI:38474); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);