Graph preview: 0 of up to 100 nodes shown.
Graph preview: 0 of up to 100 nodes shown.

Tab counts show list preview rows. Graph preview may show more nodes, up to 100. Export generates the full dataset subject to format and size limits.

Depiction
Upstream Precursor
BHQCQFFYRZLCQQ-OELDTZBJSA-N
Cholic Acid
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Depth 2
Depiction
Product
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
Depiction
Upstream Precursor
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
Depth 1
Depiction
Product
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
Depiction
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 3
Depiction
Product
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
Depiction
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 3
Depiction
Product
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
Depiction
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 3
Depiction
Product
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
Depiction
Upstream Precursor
GVIZCQOBODPSLY-UHFFFAOYSA-N
Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate
CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C
Depth 3
Depiction
Product
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
Depiction
Upstream Precursor
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
Depth 1
Depiction
Product
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
Depiction
Upstream 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
Depiction
Product
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
Depiction
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 3
Depiction
Product
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
Depiction
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 3
Depiction
Product
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

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Precursor
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
Depth 1
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
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
Depth 2
Depiction
Downstream Successor
FOCAUTSVDIKZOP-UHFFFAOYSA-M
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
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
Depth 2
Depiction
Downstream Successor
AEMRFAOFKBGASW-UHFFFAOYSA-N
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
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
Depth 3
Depiction
Downstream Successor
HHLFWLYXYJOTON-UHFFFAOYSA-N
Glyoxylic Acid
C(=O)(C=O)O
Depiction
Precursor
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
Depth 3
Depiction
Downstream Successor
JXTHNDFMNIQAHM-UHFFFAOYSA-N
Dichloroacetic Acid
O=C(C(Cl)Cl)O
Depiction
Precursor
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
Depth 1
Depiction
Downstream Successor
OHXPGWPVLFPUSM-UHFFFAOYSA-N
3,7,12-Trioxocholan-24-oic acid
CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)=O)C)=O)C
Depiction
Precursor
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
Depth 2
Depiction
Downstream Successor
TVXFXHBZOJOCMS-UHFFFAOYSA-N
CC(C(O)=O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)=O)C)=O)C
Depiction
Precursor
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
Depth 1
Depiction
Downstream Successor
KADYHEQWKNLATB-UHFFFAOYSA-N
CC(C(O)=O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)=O)C)O)C

Previewing top 8 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.

Search with another depth
or Explore another compound
Higher depth reveals distant relationships but increases loading time.