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Upstream Precursor

URJQSMIFSMHWSP-SVQRMZLBSA-N

2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid

C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

WBWWGRHZICKQGZ-UHFFFAOYSA-N

2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

RFDAIACWWDREDC-UHFFFAOYSA-N

Glycine, N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]-

CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

GUQQBLRVXOUDTN-XOHPMCGNSA-O

CID 122146

C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[…

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

UMCMPZBLKLEWAF-BCTGSCMUSA-O

dimethyl-(3-sulfopropyl)-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azanium

C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@…

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

FHRITTRQNMALPU-UHFFFAOYSA-N

CC(CCC(=O)NCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

PRAQMLPLUWJDGR-UHFFFAOYSA-O

CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)=O)C1CCC2C1(C(CC3C2C(C…

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

CLOVEIUMHBMREZ-UHFFFAOYSA-O

CC(CCC(=O)NCCC[NH+](C)C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 2

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

HAYYIOAHIPQKBA-UHFFFAOYSA-N

2-[[2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetyl]amino]acetic acid

CC(CCC(=O)NCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 1

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Upstream Precursor

APQKPLSPUGXAMT-UHFFFAOYSA-N

CC(CCC(=O)NCC(=O)NCC=O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 2

Product

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

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Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 2

Downstream Successor

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Acetic Acid

CC(=O)O

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 3

Downstream Successor

FOCAUTSVDIKZOP-UHFFFAOYSA-M

Chloroacetate

[O-]C(=O)CCl

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 3

Downstream Successor

AEMRFAOFKBGASW-UHFFFAOYSA-N

Glycolic Acid

C(=O)(CO)O

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 1

Downstream Successor

BHQCQFFYRZLCQQ-OELDTZBJSA-N

Cholic Acid

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 2

Downstream Successor

MIHNUBCEFJLAGN-UHFFFAOYSA-N

4-(3,7-Dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)=O)C

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 2

Downstream Successor

RHCPKKNRWFXMAT-UHFFFAOYSA-N

4-(3,12-Dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)=O)O)C

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 2

Downstream Successor

OEKUSRBIIZNLHZ-UHFFFAOYSA-N

4-(7,12-Dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)=O)C)O)O)C

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 3

Downstream Successor

MAFJMPFLJJCSTB-UHFFFAOYSA-N

4-(3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)=O)C

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 3

Downstream Successor

LOGQGKJLNOCUQM-UHFFFAOYSA-N

4-(7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)=O)C)O)C

Precursor

JLKACFJRSJMYJN-UHFFFAOYSA-N

4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Depth 1

Downstream Successor

LYQHXYJKIJIRRZ-UHFFFAOYSA-N

CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)=O)C

Previewing top 10 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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