EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216175 - Dihydrocitreohybridonol

ChEBI IDCHEBI:216175
ChEBI NameDihydrocitreohybridonol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O8
Net Charge0
Average Mass502.604
Monoisotopic Mass502.25667
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@H]1[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@@]12C)O[C@H]4O
InChIInChI=1S/C28H38O8/c1-13-11-17-25(6,28(23(33)34-8)21(31)14(2)20(30)26(13,28)7)12-16-19-24(4,5)18(35-15(3)29)9-10-27(17,19)22(32)36-16/h11,16-19,22,30,32H,9-10,12H2,1-8H3/t16-,17+,18-,19+,22+,25-,26-,27+,28+/m0/s1
InChIKeyUFHHFRUOZZYHNO-UZSOPXMSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26731665)
ChEBI Ontology
Outgoing Relation(s)
Dihydrocitreohybridonol (CHEBI:216175) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (1R,2R,5R,9R,10S,12S,13R,15S,18R)-15-acetyloxy-6,18-dihydroxy-4,5,7,10,14,14-hexamethyl-8-oxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate
Manual XrefsDatabases
78439295ChemSpider