(Q82076996)

English

MLS003171134

group of stereoisomers with the chemical formula C₂₀H₁₉NO₇

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Statements

group of stereoisomers

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chemical compound

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385.116151948 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₉NO₇

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cc2c(cc1OC)C(C(=O)O)C(c1ccc3c(c1)OCO3)N(C)C2=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cc2c(cc1OC)[C@H](C(=O)O)C(c1ccc3c(c1)OCO3)N(C)C2=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H19NO7/c1-21-18(10-4-5-13-16(6-10)28-9-27-13)17(20(23)24)11-7-14(25-2)15(26-3)8-12(11)19(21)22/h4-8,17-18H,9H2,1-3H3,(H,23,24)/t17-,18?/m0/s1

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YSIADTHTRFFQPJ-ZENAZSQFSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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