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CHEBI:215794 - methyl (2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

Default Structure
ChEBI IDCHEBI:215794
ChEBI Namemethyl (2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O8
Net Charge0
Average Mass544.685
Monoisotopic Mass544.30362
SMILESCOC(=O)[C@@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1CC3=O
InChIInChI=1S/C31H44O8/c1-16(10-18(33)11-17(2)27(38)39-7)19-12-24(37)31(6)26-20(34)13-22-28(3,9-8-23(36)29(22,4)15-32)25(26)21(35)14-30(19,31)5/h16-17,19,22,24,32,37H,8-15H2,1-7H3/t16-,17+,19-,22-,24-,28+,29+,30-,31+/m1/s1
InChIKeySEBUKQPVLOBITO-UTOTWVBOSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (25457485)
ChEBI Ontology
Outgoing Relation(s)
methyl (2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate (CHEBI:215794) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
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78442119ChemSpider