CHEBI:156343 - preaustinoid A2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name preaustinoid A2
ChEBI ID CHEBI:156343
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C26H34O7
Net Charge 0
Average Mass 458.551
Monoisotopic Mass 458.23045
InChI InChI=1S/C26H34O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h10-11,15-16,31H,1,9,12-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1
InChIKey SGTJQTPUMKGFFZ-RFMSQVAGSA-N
SMILES [C@@]12([C@@]3([C@@]([C@]4([C@](C(OC(C=C4)=O)(C)C)([H])CC3)C)([H])C[C@](C1=C)(C(=O)[C@@](C2=O)(O)C)C)C)C(=O)OC
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.
(via meroterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing preaustinoid A2 (CHEBI:156343) is a carboxylic ester (CHEBI:33308)
preaustinoid A2 (CHEBI:156343) is a cyclic terpene ketone (CHEBI:36130)
preaustinoid A2 (CHEBI:156343) is a meroterpenoid (CHEBI:64419)
preaustinoid A2 (CHEBI:156343) is a organic heterotetracyclic compound (CHEBI:38163)
preaustinoid A2 (CHEBI:156343) is a terpene lactone (CHEBI:37668)
preaustinoid A2 (CHEBI:156343) is a tertiary α-hydroxy ketone (CHEBI:139592)
preaustinoid A2 (CHEBI:156343) is a tertiary alcohol (CHEBI:26878)
Synonym Source
preaustinoid A2 UniProt
Citations Waiting for Citations Types Sources
23865690 PubMed citation SUBMITTER
29317628 PubMed citation SUBMITTER