CHEBI:67781 - Trigonosin C

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ChEBI Name Trigonosin C
ChEBI ID CHEBI:67781
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 C34H40O10
Net Charge 0
Average Mass 608.67540
Monoisotopic Mass 608.26215
InChI InChI=1S/C34H40O10/c1-17(2)32-26(41-28(37)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,40)29(38)30(5,39)25(36)23(33)27(32)42-34(43-32,44-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35-36,38-40H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30+,31+,32-,33-,34?/m0/s1
InChIKey QAXWNKPPCNIRQP-XAKMMCORSA-N
SMILES [H][C@]12OC3(O[C@]1([C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](O)[C@@]3(O)[C@H](O)[C@](C)(O)[C@@H](O)[C@@]21[H])C(C)=C)c1ccccc1
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 C (CHEBI:67781) has role metabolite (CHEBI:25212)
Trigonosin C (CHEBI:67781) is a diterpenoid (CHEBI:23849)
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:ortho ester(CHEBI:71989); ISA:dioxanes(CHEBI:46926); ISA:dioxolane(CHEBI:39430); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);