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Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
10 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
3 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
7 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
5 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
10 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
10 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
7 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
13 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
13 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
5 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

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

Depiction
Upstream Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Product
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Depiction
Upstream Precursor
KJLPPBGXNBZWCJ-UHFFFAOYSA-N
CC(C(=O)NC(CC1=CC(=C(C=C1)O)Cl)C(O)S(=O)(=O)O)NC(=O)CNC(=O)OC…
Abiotic
Depiction
Product
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Depiction
Upstream Precursor
KJLPPBGXNBZWCJ-UHFFFAOYSA-N
CC(C(=O)NC(CC1=CC(=C(C=C1)O)Cl)C(O)S(=O)(=O)O)NC(=O)CNC(=O)OC…
Abiotic
Depiction
Product
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Depiction
Upstream Precursor
BDHYULJAOXUCBU-UHFFFAOYSA-N
CC(C(=O)NC(CC1=CC(=C(C(=C1)Cl)O)Cl)C(O)S(=O)(=O)O)NC(=O)CNC(=…
Abiotic
Depiction
Product
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…

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

Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
PriorBiotransformation
Depiction
Downstream Successor
HUMNYLRZRPPJDN-UHFFFAOYSA-N
Benzaldehyde
c1cccc(c1)C=O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
PriorBiotransformation
Depiction
Downstream Successor
WVDDGKGOMKODPV-UHFFFAOYSA-N
Benzyl Alcohol
c1cccc(c1)CO
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
PriorBiotransformation
Depiction
Downstream Successor
BVJSUAQZOZWCKN-UHFFFAOYSA-N
4-Hydroxybenzyl Alcohol
OCC1=CC=C(C=C1)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Downstream Successor
BVJSUAQZOZWCKN-UHFFFAOYSA-N
4-Hydroxybenzyl Alcohol
OCC1=CC=C(C=C1)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Downstream Successor
HQMLIDZJXVVKCW-UHFFFAOYSA-N
2-Aminopropanamide
NC(C)C(N)=O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Downstream Successor
CJUMAFVKTCBCJK-UHFFFAOYSA-N
Benzyloxycarbonylglycine
C(=O)(CNC(=O)OCC1=CC=CC=C1)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Downstream Successor
CJUMAFVKTCBCJK-UHFFFAOYSA-N
Benzyloxycarbonylglycine
C(=O)(CNC(=O)OCC1=CC=CC=C1)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Downstream Successor
BTENVNXKJIKUMO-UHFFFAOYSA-N
2-[Hydroxy(phenylmethoxycarbonyl)amino]acetic acid
OC(=O)CN(C(=O)OCc1ccccc1)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Downstream Successor
JVIGLUPZLJVYFO-UHFFFAOYSA-N
2-[Chloro(phenylmethoxycarbonyl)amino]acetic acid
C(=O)(CN(C(=O)OCc1ccccc1)Cl)O
Depiction
Precursor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…
Abiotic
Depiction
Downstream Successor
CBSFZLDIIHPGBM-DFLTZVLMSA-N
1-hydroxy-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
C[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C(O)S(=O)(=O)O)NC(=O)CNC(=O)O…

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

No Original Precursors

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