(Q64005950)

English

[(E)-[3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylidene]amino] sulfate

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

594.0956701559098 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₈NO₁₄S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=CC(CC(=NOS(=O)(=O)[O-])SC1OC(CO)C(O)C(O)C1O)OC(=O)C=Cc1cc(OC)c(O)c(OC)c1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC(C/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=C

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Identifiers

InChI

InChI=1S/C22H29NO14S2/c1-4-12(35-17(25)6-5-11-7-13(33-2)18(26)14(8-11)34-3)9-16(23-37-39(30,31)32)38-22-21(29)20(28)19(27)15(10-24)36-22/h4-8,12,15,19-22,24,26-29H,1,9-10H2,2-3H3,(H,30,31,32)/p-1/b6-5+,23-16+/t12?,15-,19-,20+,21-,22+/m1/s1

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InChIKey

WJTPNROZULSXGJ-NILQQRRASA-M

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1 reference

(Q64005950)

[(E)-[3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylidene]amino] sulfate

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