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CHEBI:184101 - Qingyangshengenin

ChEBI IDCHEBI:184101
ChEBI NameQingyangshengenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O8
Net Charge0
Average Mass500.588
Monoisotopic Mass500.24102
SMILES[H][C@]12C[C@@H](OC(=O)c3ccc(O)cc3)[C@@]3(C)[C@](O)(CC[C@@]3(O)C(C)=O)[C@]1(O)CC=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C28H36O8/c1-16(29)26(33)12-13-28(35)25(26,3)22(36-23(32)17-4-6-19(30)7-5-17)15-21-24(2)10-9-20(31)14-18(24)8-11-27(21,28)34/h4-8,20-22,30-31,33-35H,9-15H2,1-3H3/t20-,21+,22+,24-,25+,26+,27-,28+/m0/s1
InChIKeyIMRGSWAJVVVYOW-ZCARJHNXSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Qingyangshengenin (CHEBI:184101) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate
Manual XrefsDatabases
24534086ChemSpider