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CHEBI:215946 - Pardinol F

Default Structure
ChEBI IDCHEBI:215946
ChEBI NamePardinol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H73NO12
Net Charge0
Average Mass856.107
Monoisotopic Mass855.51328
SMILESCOC(=O)[C@@H](NC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)[C@@H](O)C3)[C@@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C48H73NO12/c1-27(17-20-35(52)44(5,6)57)30-21-22-47(9)31-18-19-34-43(3,4)41(33(51)24-46(34,8)32(31)23-36(53)48(30,47)10)61-38(55)26-45(7,58)25-37(54)49-39(42(56)59-11)40(60-28(2)50)29-15-13-12-14-16-29/h12-16,27,30,33-36,39-41,51-53,57-58H,17-26H2,1-11H3,(H,49,54)/t27-,30-,33-,34+,35-,36+,39+,40+,41+,45-,46-,47+,48+/m1/s1
InChIKeyYNPPVMNLWLFSDD-DERQANKZSA-N
Species of MetaboliteComponentSourceComments
Tricholoma pardinum (ncbitaxon:54540) - PubMed (29758519)
ChEBI Ontology
Outgoing Relation(s)
Pardinol F (CHEBI:215946) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3R,5R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R)-5-[[(1S,2S)-1-acetyloxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-3-hydroxy-3-methyl-5-oxopentanoate
Manual XrefsDatabases
78442410ChemSpider