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CHEBI:177788 - Deoxycorticosterone 21-glucoside

ChEBI IDCHEBI:177788
ChEBI NameDeoxycorticosterone 21-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O8
Net Charge0
Average Mass492.609
Monoisotopic Mass492.27232
SMILESCC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)COC3OC(CO)C(O)C(O)C3O)CCC12
InChIInChI=1S/C27H40O8/c1-26-9-7-15(29)11-14(26)3-4-16-17-5-6-19(27(17,2)10-8-18(16)26)20(30)13-34-25-24(33)23(32)22(31)21(12-28)35-25/h11,16-19,21-25,28,31-33H,3-10,12-13H2,1-2H3
InChIKeySMSMUZPFFJLROV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Deoxycorticosterone 21-glucoside (CHEBI:177788) is a steroid saponin (CHEBI:61655)
IUPAC Name 
10,13-dimethyl-17-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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