CHEBI:208331 - Saponaceolide P

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 P
ChEBI ID CHEBI:208331
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H42O8
Net Charge 0
Average Mass 530.658
Monoisotopic Mass 530.28797
InChI InChI=1S/C30H42O8/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/h12,19,21,24,34H,1,7-11,13-17H2,2-6H3/t19-,21-,24+,28-,29-,30-/m0/s1
InChIKey RKOHLMOXQGQRJM-YSGGVZHISA-N
SMILES O=C1[C@@]2(O[C@]3(OC[C@@H](CC[C@H]4C([C@H](C(=C)CC4)C(=O)CC=5C(=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 P (CHEBI:208331) is a ketal (CHEBI:59777)
IUPAC Name
(1R,3S,4S,5'S)-5'-[2-[(1R,3S)-2,2-dimethyl-4-methylidene-3-[2-(5-oxo-2H-uran-4-yl)acetyl]cyclohexyl]ethyl]-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,2'-oxane]-7-one
Manual Xref Database
78441476 ChemSpider
View more database links