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CHEBI:215593 - Resinacein P

Default Structure
ChEBI IDCHEBI:215593
ChEBI NameResinacein P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O8
Net Charge0
Average Mass544.685
Monoisotopic Mass544.30362
SMILESCOC(=O)C(C)CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
InChIInChI=1S/C31H44O8/c1-16(26(37)39-8)11-17(32)14-30(6,38)21-13-23(36)31(7)25-18(33)12-20-27(2,3)22(35)9-10-28(20,4)24(25)19(34)15-29(21,31)5/h16,20-22,35,38H,9-15H2,1-8H3/t16?,20?,21-,22-,28-,29+,30-,31-/m0/s1
InChIKeyGWXYUYTZJNWGAD-GOUAKDDGSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (29490285)
ChEBI Ontology
Outgoing Relation(s)
Resinacein P (CHEBI:215593) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (6S)-6-hydroxy-6-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Manual XrefsDatabases
78442402ChemSpider