(Q104980966)

English

(2R)-2-hydroxy-8,8-dimethyl-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4H-1,4-benzothiazine-3,5-dione

chemical compound

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instance of

type of chemical entity

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subclass of

2-hydroxy-8,8-dimethyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4H-1,4-benzothiazine-3,5-dione

1 reference

based on heuristic

inferred from SMILES

mass

417.109352316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₃NO₉S

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canonical SMILES

CC1(C)C(COC2OC(CO)C(O)C(O)C2O)=CC(=O)C2=C1SC(O)C(=O)N2

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isomeric SMILES

CC1(C)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)C2=C1S[C@@H](O)C(=O)N2

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found in taxon

Xanthium strumarium

1 reference

stated in

New thiazinediones and other components from Xanthium strumarium

Identifiers

InChI

InChI=1S/C17H23NO9S/c1-17(2)6(3-7(20)9-13(17)28-15(25)14(24)18-9)5-26-16-12(23)11(22)10(21)8(4-19)27-16/h3,8,10-12,15-16,19,21-23,25H,4-5H2,1-2H3,(H,18,24)/t8-,10-,11+,12-,15-,16-/m1/s1

0 references

InChIKey

DHXNDDNJEXEDPM-HWFUTELASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DHXNDDNJEXEDPM-HWFUTELASA-N

(Q104980966)

(2R)-2-hydroxy-8,8-dimethyl-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4H-1,4-benzothiazine-3,5-dione

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