(Q105138559)

English

(2S)-5-chloro-7-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-chloro-7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one

1 reference

based on heuristic

inferred from SMILES

mass

391.067008836 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₈ClNO₉

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canonical SMILES

COc1cc(Cl)c2c(c1)OC(OC1OC(CO)C(O)C(O)C1O)C(=O)N2

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isomeric SMILES

COc1cc(Cl)c2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2

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found in taxon

maize

1 reference

stated in

Compound 30.4, An unusual chlorinated 1,4-benzoxazin-3-one derivative from corn (zea mays).

Identifiers

InChI

InChI=1S/C15H18ClNO9/c1-23-5-2-6(16)9-7(3-5)24-15(13(22)17-9)26-14-12(21)11(20)10(19)8(4-18)25-14/h2-3,8,10-12,14-15,18-21H,4H2,1H3,(H,17,22)/t8-,10-,11+,12-,14+,15+/m1/s1

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InChIKey

KBVVPFFIPFKXPL-MHVRPGDESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KBVVPFFIPFKXPL-MHVRPGDESA-N

(Q105138559)

(2S)-5-chloro-7-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one

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