CHEBI:201051 - Sterelactone B

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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 Sterelactone B
ChEBI ID CHEBI:201051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O6
Net Charge 0
Average Mass 374.433
Monoisotopic Mass 374.17294
InChI InChI=1S/C21H26O6/c1-4-5-6-7-14(23)26-16-15-12(8-19(16,2)3)9-20-11-21(20,13(15)10-22)18(25)27-17(20)24/h8,10,16,18,25H,4-7,9,11H2,1-3H3/t16-,18-,20-,21-/m1/s1
InChIKey MQPOERGLRKKIDH-KRZXBLKESA-N
SMILES O=C1O[C@@H](O)[C@]23[C@]1(CC4=CC(C)(C)[C@@H](C4=C2C=O)OC(=O)CCCCC)C3
Metabolite of Species Details
Stereum (NCBI:txid5644) See: PubMed
ChEBI Ontology
Outgoing Sterelactone B (CHEBI:201051) is a δ-lactone (CHEBI:18946)
IUPAC Name
[(1S,4S,9S,12R)-2-ormyl-12-hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]trideca-2,6-dien-4-yl] hexanoate
Manual Xref Database
78436711 ChemSpider
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