EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215952 - Pardinol G

Default Structure
ChEBI IDCHEBI:215952
ChEBI NamePardinol G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H69NO12
Net Charge0
Average Mass828.053
Monoisotopic Mass827.48198
SMILESCOC(=O)[C@@H](NC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@H]2O)[C@@]1(C)[C@@H](O)C3)[C@@H](O)c1ccccc1
InChIInChI=1S/C46H69NO12/c1-41(2)31-17-16-28-29(21-32(48)46(8)27(19-20-45(28,46)7)26-15-18-33(42(3,4)55)59-39(26)53)44(31,6)22-30(38(41)52)58-35(50)24-43(5,56)23-34(49)47-36(40(54)57-9)37(51)25-13-11-10-12-14-25/h10-14,26-27,30-33,36-39,48,51-53,55-56H,15-24H2,1-9H3,(H,47,49)/t26-,27-,30-,31+,32+,33-,36+,37+,38+,39-,43-,44-,45+,46+/m1/s1
InChIKeyZRYFALPBUPDYAR-WKNKVYJASA-N
Species of MetaboliteComponentSourceComments
Tricholoma pardinum (ncbitaxon:54540) - PubMed (29758519)
ChEBI Ontology
Outgoing Relation(s)
Pardinol G (CHEBI:215952) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-17-[(2R,3R,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] (3R)-3-hydroxy-5-[[(1S,2S)-1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-3-methyl-5-oxopentanoate
Manual XrefsDatabases
78442411ChemSpider