(Q82231300)

English

Austrocortirubin

group of stereoisomers with the chemical formula C₁₆H₁₆O₇

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Statements

group of stereoisomers

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chemical compound

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320.089602852 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₆H₁₆O₇

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canonical SMILES

O=C1C=C(OC)C(=O)C=2C(O)=C3C(=C(O)C12)C(O)CC(O)(C)C3

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isomeric SMILES

COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)CC3O

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Identifiers

InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3/t8?,16-/m0/s1

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WWTHHBSODPGTAK-VEDISBKWSA-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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