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Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
1 step
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
8 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
5 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
8 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
8 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
9 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
5 steps
Depiction
Dead-End Product
LYGJENNIWJXYER-UHFFFAOYSA-N
Nitromethane
C[N+](=O)[O-]
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
8 steps
Depiction
Dead-End Product
NLZPEXRSTFSHRL-UHFFFAOYSA-N
2-hydroxy-N-methyl-2-oxoethanimine oxide
C(=O)(C=[N+](C)[O-])O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
8 steps
Depiction
Dead-End Product
WIXMZYQAIQCYAQ-UHFFFAOYSA-N
C(=O)(C[N+](=C)[O-])O

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Depiction
Upstream Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Product
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Depiction
Upstream Precursor
ONGPNODVSGMDFD-UHFFFAOYSA-N
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Product
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…

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Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Downstream Successor
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Downstream Successor
FOCAUTSVDIKZOP-UHFFFAOYSA-M
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Downstream Successor
AEMRFAOFKBGASW-UHFFFAOYSA-N
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
PriorBiotransformation
Depiction
Downstream Successor
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Lactic Acid
C(C(O)C)(O)=O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Downstream Successor
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Lactic Acid
C(C(O)C)(O)=O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
PriorBiotransformation
Depiction
Downstream Successor
GDFAOVXKHJXLEI-UHFFFAOYSA-N
N-Methyl-DL-Alanine
N(C(C(=O)O)C)C
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Downstream Successor
GDFAOVXKHJXLEI-UHFFFAOYSA-N
N-Methyl-DL-Alanine
N(C(C(=O)O)C)C
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
PriorBiotransformation
Depiction
Downstream Successor
KTHDTJVBEPMMGL-UHFFFAOYSA-N
N-Acetyl-DL-alanine
CC(=O)NC(C)C(=O)O
Depiction
Precursor
WKPWGQKGSOKKOO-UHFFFAOYSA-N
11aChloroCa21ahydroxya12,20adimethoxya2,5,9,16a tetramethyla8,23adioxoa4,24adioxaa9,22a diazatetracyclo[19.3.1.110,14.03,5]hexacosaa 10,12,14(26),16,18apentaena6ayl 2a(Na methylacetamido)propanoate
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC…
Abiotic
Depiction
Downstream Successor
KTHDTJVBEPMMGL-UHFFFAOYSA-N
N-Acetyl-DL-alanine
CC(=O)NC(C)C(=O)O

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No Original Precursors

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