CHEBI:214008 - Saponaceolide L

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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 L
ChEBI ID CHEBI:214008
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O8
Net Charge 0
Average Mass 532.674
Monoisotopic Mass 532.30362
InChI InChI=1S/C30H44O8/c1-18-7-9-21(26(2,3)24(18)22(31)15-20-12-14-35-25(20)33)10-8-19-11-13-29(36-17-19)28(6)16-23(32)30(34,38-29)27(4,5)37-28/h15,19,21-22,24,31,34H,1,7-14,16-17H2,2-6H3/t19-,21-,22-,24+,28-,29-,30-/m0/s1
InChIKey TZFCSEIAYLTGTB-MJOZIXSQSA-N
SMILES O=C1[C@@]2(O[C@]3(OC[C@@H](CC[C@H]4C([C@H](C(=C)CC4)[C@@H](O)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 L (CHEBI:214008) is a ketal (CHEBI:59777)
IUPAC Name
(1R,3S,4S,5'S)-1-hydroxy-5'-[2-[(1R,3S)-3-[(1S)-1-hydroxy-2-(2-oxooxolan-3-ylidene)ethyl]-2,2-dimethyl-4-methylidenecyclohexyl]ethyl]-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,2'-oxane]-7-one
Manual Xref Database
78441329 ChemSpider
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