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Englisch
13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
group of stereoisomers with the chemical formula C₁₈H₂₂O₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
estrane steroid
1 reference
based on heuristic
inferred from SMILES
mass
350.118794804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂O₅S
0 references
canonical SMILES
O=C1CCC2C3CCC4=CC(OS(=O)(=O)O)=CC=C4C3CCC12C
0 references
found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)
0 references
InChIKey
JKKFKPJIXZFSSB-UHFFFAOYSA-N
0 references
PubChem CID
699
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JKKFKPJIXZFSSB-UHFFFAOYSA-N
UniChem compound ID
30568207
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0249412
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JKKFKPJIXZFSSB-UHFFFAOYSA-N
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