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Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
6 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
11 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
11 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
7 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Upstream Precursor
C1C(C(C(C1O)S(CC(COC2=CC(=CC=C2)Cl)O)=O)CC=CCCCC(=O)O)O
Depth 1
Depiction
Product
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depiction
Upstream Precursor
C1C(C(C(C1O)S(CC(COC2=CC(=CC=C2)Cl)O)(=O)=O)CC=CCCCC(=O)O)O
Depth 2
Depiction
Product
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depiction
Upstream Precursor
C1C(C(C(C1O)[S+](CC(COC2=CC(=CC=C2)Cl)O)Cl)CC=CCCCC(=O)O)O
Depth 2
Depiction
Product
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depth 2
Depiction
Downstream Successor
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depth 3
Depiction
Downstream Successor
2-Hydroxyhexa-2,4-diendioic acid
C(=CC=CC(=O)O)(C(O)=O)O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depth 3
Depiction
Downstream Successor
2,4-Hexadienedioic acid, (2Z,4Z)-
C(C=CC=CC(=O)O)(O)=O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depth 3
Depiction
Downstream Successor
4-Hydroxybenzoic Acid
C(=O)(C1=CC=C(O)C=C1)O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depth 3
Depiction
Downstream Successor
3-Hydroxyhexa-2,4-dienedioic acid
C(C=CC(=O)O)(=CC(O)=O)O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depth 2
Depiction
Downstream Successor
CID 417
C(C=C(C=CC(O)=O)Cl)(O)=O
Depiction
Precursor
5-Heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-
C1C(C(C(C1O)SCC(COC2=CC(=CC=C2)Cl)O)C/C=C/CCCC(=O)O)O
Depth 3
Depiction
Downstream Successor
2-Chloro-5-hydroxyhexa-2,4-dienedioic acid
C(=CC=C(O)C(=O)O)(Cl)C(O)=O
No Original Precursors

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