CHEBI:156346 - preaustinoid A3

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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 A3
ChEBI ID CHEBI:156346
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C26H32O7
Net Charge 0
Average Mass 456.535
Monoisotopic Mass 456.21480
InChI InChI=1S/C26H32O7/c1-14-16-13-22(5)15(2)26(20(30)32-8,19(29)24(7,31)18(22)28)23(16,6)11-12-25(14)10-9-17(27)33-21(25,3)4/h9-10,31H,2,11-13H2,1,3-8H3/t22-,23+,24+,25+,26+/m1/s1
InChIKey HYHJAMQARBFCBV-RXBPMRIASA-N
SMILES [C@@]12([C@@]3(C(=C([C@]4(CC3)C(OC(C=C4)=O)(C)C)C)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 )
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ChEBI Ontology
Outgoing preaustinoid A3 (CHEBI:156346) is a carboxylic ester (CHEBI:33308)
preaustinoid A3 (CHEBI:156346) is a meroterpenoid (CHEBI:64419)
preaustinoid A3 (CHEBI:156346) is a organic heterotetracyclic compound (CHEBI:38163)
preaustinoid A3 (CHEBI:156346) is a terpene lactone (CHEBI:37668)
preaustinoid A3 (CHEBI:156346) is a tertiary alcohol (CHEBI:26878)
Synonym Source
preaustinoid A3 UniProt
Citations Waiting for Citations Types Sources
23865690 PubMed citation SUBMITTER
29317628 PubMed citation SUBMITTER