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Depiction
Upstream Precursor
CBYYUJQXRKBSCV-UHFFFAOYSA-N
2-(2-Carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratryl-isoquinoline hidrochloride
COc1c(cc(cc1)CC2c3cc(c(cc3CCN2CCC(=O)O)OC)OC)OC
Depth 1
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
VZAJSNWFIOPTKS-UHFFFAOYSA-O
Atracurium Besilate EP Impurity E
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)O
Depth 2
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
PHLOMNFRXKJVMF-UHFFFAOYSA-N
Norlaudanosine N-5-Hydroxypentyl Propionate
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCO)OC)OC)OC
Depth 2
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
VAICIGHSSIXZGJ-UHFFFAOYSA-N
COc1c(cc(cc1)CC2c3cc(c(cc3CC[N+]2(CCC(=O)O)[O-])OC)OC)OC
Depth 2
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
VCNVNWOOOHKEKM-UHFFFAOYSA-O
OC(=O)CC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC)C
Depth 1
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depth 3
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
KFNBBSMQNSQPPJ-UHFFFAOYSA-N
1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CC…
Depth 2
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
YXSLJKQTIDHPOT-UHFFFAOYSA-N
Atracurium
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Depth 3
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
DVALOYWIRUAGQI-UHFFFAOYSA-N
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CC…
Depth 2
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depiction
Upstream Precursor
JGSIBCVNENEPQM-UHFFFAOYSA-N
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CC…
Depth 2
Depiction
Product
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O

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Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 3
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 1
Depiction
Downstream Successor
OAKURXIZZOAYBC-UHFFFAOYSA-N
3-Oxopropanoic acid
OC(=O)CC=O
Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 2
Depiction
Downstream Successor
OFOBLEOULBTSOW-UHFFFAOYSA-N
Malonic Acid
OC(=O)CC(=O)O
Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 3
Depiction
Downstream Successor
ZHFQGEIYGBWHMW-UHFFFAOYSA-N
C(=C(C(O)=CC(=O)O)OC)C(O)=O
Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 3
Depiction
Downstream Successor
CBNWPYXYQVVKBL-UHFFFAOYSA-N
C(=C(C=CC(=O)O)OC)(C(O)=O)O
Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 2
Depiction
Downstream Successor
IVVDHVLFDJIMCV-UHFFFAOYSA-N
OC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)O
Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 1
Depiction
Downstream Successor
PBARFBACJNHQIC-UHFFFAOYSA-N
5-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Depiction
Precursor
NQULWBNJYDYHOO-UHFFFAOYSA-N
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)O)OC)OC)O
Depth 2
Depiction
Downstream Successor
FVEMXQCEJGGXJB-UHFFFAOYSA-N
(+-)-Norreticuline
N1CCc2cc(c(cc2C1Cc3cc(c(cc3)OC)O)O)OC

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No Original Precursors

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No Dead-Ends

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