CHEBI:215861 - Saponaceolide F

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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 F
ChEBI ID CHEBI:215861
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/c1-19-7-9-21(26(2,3)23(19)12-11-22-24(31)18-34-25(22)32)10-8-20-13-14-30(35-17-20)28(6)15-16-29(33,37-30)27(4,5)36-28/h8,11,21,23-24,31,33H,1,7,9-10,12-18H2,2-6H3/b20-8-,22-11-/t21-,23-,24-,28-,29-,30-/m0/s1
InChIKey VNSBDFFVDBCTKZ-AXFWPTCLSA-N
SMILES O=C/1OC[C@@H](\C1=C\C[C@H]2C(=C)CC[C@H](C2(C)C)C/C=C/3\CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3)O
Metabolite of Species Details
Tricholoma saponaceum (NCBI:txid113602) See: PubMed
ChEBI Ontology
Outgoing Saponaceolide F (CHEBI:215861) is a ketal (CHEBI:59777)
IUPAC Name
(3Z,4R)-4-hydroxy-3-[2-[(1S,3S)-3-[(2Z)-2-[(1S,3S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-ylidene]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one
Manual Xref Database
78438098 ChemSpider
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