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3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione

PropertiesImageOccurences in reactions
MNX_IDMNXM2612Image of MNXM2612
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
formulaC21H32O4
charge0
mass348.47638
referencechebi:1690
InChIKeyXWYBFXIUISNTQG-LWBRKPSMSA-N
InChIInChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,19?,20?,21?/m1/s1
SMILESCC12CC(=O)C3C(CCC4C[C@H](O)CCC34C)C1CCC2C(=O)CO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:1690
chebi:1690
kegg.compound:C05478
keggC:C05478
3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione
5beta-Pregnane-3alpha,21-diol-11,20-dione
seed.compound:cpd03259
seedM:cpd03259
5beta-Pregnane-3alpha,21-diol-11,20-dione
3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione
keggC:M_C05478
seedM:M_cpd03259
secondary/obsolete/fantasy identifier