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CHEBI:156343 - preaustinoid A2

ChEBI IDCHEBI:156343
ChEBI Namepreaustinoid A2
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILES[H][C@@]12C[C@]3(C)C(=C)[C@@](C(=O)OC)(C(=O)[C@@](C)(O)C3=O)[C@@]1(C)CC[C@]1([H])C(C)(C)OC(=O)C=C[C@@]21C
InChIInChI=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
InChIKeySGTJQTPUMKGFFZ-RFMSQVAGSA-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 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 alcohol (CHEBI:26878)
preaustinoid A2 (CHEBI:156343) is a tertiary α-hydroxy ketone (CHEBI:139592)
UniProt Name  Source
preaustinoid A2UniProt
Citations