Graphs show a maximum of 100 compounds. Use downloads for complete results.
Depiction
Upstream Precursor
ZESRJSPZRDMNHY-UHFFFAOYSA-N
21-Hydroxypregn-4-ene-3,20-dione
CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C
Environmental
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
VPGRYOFKCNULNK-UHFFFAOYSA-N
3,20-Dioxopregn-4-en-21-yl acetate
CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Environmental
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
FXJQDFFSUVVCMK-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-acetaldehyde
CC12CCC3C(C1CCC2C(=O)C=O)CCC4=CC(=O)CCC34C
Abiotic
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
FXJQDFFSUVVCMK-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-acetaldehyde
CC12CCC3C(C1CCC2C(=O)C=O)CCC4=CC(=O)CCC34C
Environmental
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
NLKIYMWKTGGEFS-UHFFFAOYSA-N
C(C(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)Cl
Environmental
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
NLKIYMWKTGGEFS-UHFFFAOYSA-N
C(C(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)Cl
Abiotic
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
NLKIYMWKTGGEFS-UHFFFAOYSA-N
C(C(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)Cl
Environmental
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
JRCLDWPZUBVGFT-UHFFFAOYSA-N
C(C(=O)OCC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC43C)C)Cl
Environmental
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
KYUJPNKWPACEEK-UHFFFAOYSA-N
C(C(=O)OCC(=O)C1CCC2C1(CC=C3C2CCC4=CC(=O)CCC43C)C)Cl
Environmental
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Depiction
Upstream Precursor
AYASCSFPQMVXSR-UHFFFAOYSA-N
CC12CCC3C(C1CCC2C(=O)COC(=O)CCC4C(C(C(=O)C=C4)O)Cl)CCC5=CC(=O…
PriorBiotransformation
Depiction
Product
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C

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Depiction
Precursor
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Abiotic
Depiction
Downstream Successor
CKJGTRHCGUQBPJ-UHFFFAOYSA-N
O=C(C(=O)C1CCC2C1(CCC3C2CCC3(C4=CC(=O)CC4)C)C)O
Depiction
Precursor
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Abiotic
Depiction
Downstream Successor
WUAYLVNHTNFAGQ-UHFFFAOYSA-N
O=C(C(=O)C1CCC2C1(CCC3C2CCC4(CC(=O)CC4)C3(C)O)C)O
Depiction
Precursor
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Abiotic
Depiction
Downstream Successor
ZVQSUFPMMKLUNT-UHFFFAOYSA-N
O=C(C(=O)C1CCC2C1(CCC3C2CCC45C(C(=O)CC4)C35C)C)O
Depiction
Precursor
LWKCHEXQYCMNME-UHFFFAOYSA-N
2-(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Environmental
Depiction
Downstream Successor
CGRXTZIIVYGATK-UHFFFAOYSA-N
CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4CC(=O)CCC34C

Previewing top 4 entries. If you want the full results, please use the download button above.

No Original Precursors

No entries were found for this section with the current query and depth.

No Dead-Ends

No entries were found for this section with the current query and depth.

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