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CHEBI:226716 - Ganodermalactone U

Default Structure
ChEBI IDCHEBI:226716
ChEBI NameGanodermalactone U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
SMILESCC(=O)OC[C@@]1(CCC(=O)O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@H]3OC(=O)C(C)=C[C@@H]3O)[C@@]1(C)CC2
InChIInChI=1S/C32H48O8/c1-18-16-24(34)27(40-28(18)37)19(2)21-10-13-31(7)22-8-9-25(29(4,5)38)32(15-12-26(35)36,17-39-20(3)33)23(22)11-14-30(21,31)6/h16,19,21,24-25,27,34,38H,8-15,17H2,1-7H3,(H,35,36)/t19-,21+,24-,25-,27+,30+,31-,32-/m0/s1
InChIKeyJEUFRKRLACMISC-WJGWNSPVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - PubMed (32639735)
ChEBI Ontology
Outgoing Relation(s)
Ganodermalactone U (CHEBI:226716) is a triterpenoid (CHEBI:36615)
IUPAC Name 
3-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-3-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid