6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione (Q82950063)

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chemical compound

Language	Label	Description	Also known as
English	6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione	chemical compound

Statements

type of chemical entity

0 references

(8xi,9xi,10xi,13xi,14xi)-6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione

1 reference

based on heuristic

inferred from SMILES

378.2042386799999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC(=O)C=C1C(O)CC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3

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GNFTWPCIRXSCQF-UHFFFAOYSA-N

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CAS Registry Number

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1 reference

matched by identifier from

GNFTWPCIRXSCQF-UHFFFAOYSA-N

DSSTox substance ID

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matched by identifier from

GNFTWPCIRXSCQF-UHFFFAOYSA-N

DSSTOX compound identifier

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Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

GNFTWPCIRXSCQF-UHFFFAOYSA-N

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