CHEBI:197740 - Saponaceolide O

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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 Saponaceolide O
ChEBI ID CHEBI:197740
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O7
Net Charge 0
Average Mass 516.675
Monoisotopic Mass 516.30870
InChI InChI=1S/C30H44O7/c1-19-7-9-22(26(2,3)24(19)23(31)17-21-12-16-34-25(21)32)10-8-20-11-13-30(35-18-20)28(6)14-15-29(33,37-30)27(4,5)36-28/h12,20,22,24,33H,1,7-11,13-18H2,2-6H3/t20-,22-,24+,28-,29-,30-/m0/s1
InChIKey RIYGWMAOYLEGET-OAKOWURQSA-N
SMILES O=C1OCC=C1CC(=O)[C@H]2C(=C)CC[C@H](C2(C)C)CC[C@@H]3CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3
Metabolite of Species Details
Tricholoma terreum (NCBI:txid76328) See: PubMed
ChEBI Ontology
Outgoing Saponaceolide O (CHEBI:197740) is a ketal (CHEBI:59777)
IUPAC Name
4-[2-[(1S,3R)-3-[2-[(1S,3S,3'S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]-2-oxoethyl]-2H-uran-5-one
Manual Xref Database
78440691 ChemSpider
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