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CHEBI:188569 - Cormethasone acetate

ChEBI IDCHEBI:188569
ChEBI NameCormethasone acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29F3O6
Net Charge0
Average Mass470.484
Monoisotopic Mass470.19162
SMILES[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CC(F)(F)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C24H29F3O6/c1-12-7-15-16-9-22(25,26)17-8-14(29)5-6-20(17,3)23(16,27)18(30)10-21(15,4)24(12,32)19(31)11-33-13(2)28/h5-6,8,12,15-16,18,30,32H,7,9-11H2,1-4H3/t12-,15+,16+,18+,20+,21+,23+,24+/m1/s1
InChIKeyYXKFATPOEMHNMJ-KJEYTGHBSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
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)
Cormethasone acetate (CHEBI:188569) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[2-oxo-2-[(8S,9R,10S,11S,13S,14S,16R,17R)-6,6,9-triluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate
Manual XrefsDatabases
10128650ChemSpider
D03589KEGG DRUG
Registry NumbersSources
CAS:35135-67-2ChemIDplus