CHEBI:199294 - Saponaceolide M

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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 M
ChEBI ID CHEBI:199294
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H46O9
Net Charge 0
Average Mass 574.711
Monoisotopic Mass 574.31418
InChI InChI=1S/C32H46O9/c1-19-8-10-23(28(3,4)26(19)24(39-20(2)33)16-22-13-15-37-27(22)35)11-9-21-12-14-31(38-18-21)30(7)17-25(34)32(36,41-31)29(5,6)40-30/h16,21,23-24,26,36H,1,8-15,17-18H2,2-7H3/t21-,23-,24-,26+,30-,31-,32-/m0/s1
InChIKey CGNKJJBWOWSOJZ-OPNMGSMRSA-N
SMILES O=C1[C@@]2(O[C@]3(OC[C@@H](CC[C@H]4C([C@H](C(=C)CC4)[C@@H](OC(=O)C)C=C5C(=O)OCC5)(C)C)CC3)[C@@](C1)(C)OC2(C)C)O
Metabolite of Species Details
Tricholoma terreum (NCBI:txid76328) See: PubMed
ChEBI Ontology
Outgoing Saponaceolide M (CHEBI:199294) is a ketal (CHEBI:59777)
IUPAC Name
[(1S)-1-[(1S,3R)-3-[2-[(1R,3S,3'S,4S)-1-hydroxy-4,6,6-trimethyl-7-oxospiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]-2-(2-oxooxolan-3-ylidene)ethyl] acetate
Manual Xref Database
78440772 ChemSpider
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