(Q105285721)

English

4-methylsulfanyl-6-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenazine-1-carboxylic acid

group of stereoisomers with the chemical formula C₂₀H₂₀N₂O₇S

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Statements

group of stereoisomers

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phenazine alkaloid

1 reference

phenazine alkaloid

432.09912197999995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₀N₂O₇S

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canonical SMILES

O=C(O)C1=CC=C(SC)C2=NC=3C(N=C21)=CC=CC3OC4OC(C)C(O)C(O)C4O

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isomeric SMILES

CSc1ccc(C(=O)O)c2nc3cccc(O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)c3nc12

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Identifiers

InChI=1S/C20H20N2O7S/c1-8-16(23)17(24)18(25)20(28-8)29-11-5-3-4-10-14(11)22-15-12(30-2)7-6-9(19(26)27)13(15)21-10/h3-8,16-18,20,23-25H,1-2H3,(H,26,27)/t8?,16-,17?,18-,20-/m0/s1

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VGDKDGBMEZJAMP-XQEYMWFJSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VGDKDGBMEZJAMP-XQEYMWFJSA-N

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