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CHEBI:156346 - preaustinoid A3

ChEBI IDCHEBI:156346
ChEBI Namepreaustinoid A3
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H32O7
Net Charge0
Average Mass456.535
Monoisotopic Mass456.21480
SMILESC=C1[C@@]2(C)CC3=C(C)[C@]4(C=CC(=O)OC4(C)C)CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O
InChIInChI=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
InChIKeyHYHJAMQARBFCBV-RXBPMRIASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
UniProt Name  Source
preaustinoid A3UniProt
Citations