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Depiction
Upstream Precursor
11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
Depth 2
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O
Depth 1
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
[2-(6-Chloro-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CC(C4=CC(=O)C=CC34C)Cl)C)O
Depth 2
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
[2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O
Depth 1
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
Prednimustine
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCCC4=…
Depth 3
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
Depth 2
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
C(C(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)O)O
Depth 3
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
6-Chloro-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
C(C(=O)C1(CCC2C1(CC(=O)C3C2CC(C4=CC(=O)C=CC34C)Cl)C)O)O
Depth 2
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
C(C(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC43C)Cl)C)O)O
Depth 3
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Upstream Precursor
Prednisolone metasulfobenzoate
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4=CC(…
Depth 3
Depiction
Product
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 3
Depiction
Downstream Successor
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 2
Depiction
Downstream Successor
Glyoxylic Acid
C(=O)(C=O)O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 1
Depiction
Downstream Successor
C(C(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C(C(C34C)O)Cl)C)O)=O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 1
Depiction
Downstream Successor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
O=C(C(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O)O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 2
Depiction
Downstream Successor
CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)C(=O)O)O)C
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 3
Depiction
Downstream Successor
O=C(C(=O)C1(CCC2C1(CC(=O)C3C2CCC3(C4=CC(=O)CC4)C)C)O)O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 3
Depiction
Downstream Successor
O=C(C(=O)C1(CCC2C1(CC(=O)C3C2CCC45C(C(=O)CC4)C35C)C)O)O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 3
Depiction
Downstream Successor
O=C(C(=O)C1(CCC2C1(CC(=O)C3C2CCC4(CC(=O)CC4)C3(C)O)C)O)O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 2
Depiction
Downstream Successor
O=C(C(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C(C(C34C)O)Cl)C)O)O
Depiction
Precursor
2-(17-Hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehyde
CC12CC(=O)C3C(C1CCC2(C(=O)C=O)O)CCC4=CC(=O)C=CC34C
Depth 3
Depiction
Downstream Successor
CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)C(=O)O)O)C
No Original Precursors

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No Dead-Ends

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