(Q82984598)

English

3,5,12-Trihydroxy-3-(hydroxymethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₆H₃₀ClNO₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

551.1558238399999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₀ClNO₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(CO)CC3OC1CC(N)C(O)C(C)O1.Cl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CO)C[C@@H]3OC1CC(N)C(O)C(C)O1.Cl

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H29NO10.ClH/c1-10-21(29)13(27)6-16(36-10)37-15-8-26(34,9-28)7-12-18(15)25(33)20-19(23(12)31)22(30)11-4-3-5-14(35-2)17(11)24(20)32;/h3-5,10,13,15-16,21,28-29,31,33-34H,6-9,27H2,1-2H3;1H/t10?,13?,15-,16?,21?,26-;/m0./s1

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InChIKey

JZPYEXOSAPOKDI-RGNFZRMBSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID201420875

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NSC number

272681

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(Q82984598)

3,5,12-Trihydroxy-3-(hydroxymethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

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Identifiers

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