(Q105349381)

English

methyl (2S,3S,4S,5R,6R)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

476.09547608 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R,3R,4R,5S,6R)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₀O₁₂

0 references

canonical SMILES

O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OC4OC(C(=O)OC)C(O)C(O)C4O)C3

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isomeric SMILES

COC(=O)[C@H]1O[C@H](Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Elsholtzia rugulosa

1 reference

stated in

Chemical constituents of the whole plant of Elsholtzia rugulosa

Identifiers

InChI

InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)33-14-4-8(2-3-10(14)24)13-7-12(26)16-11(25)5-9(23)6-15(16)32-13/h2-7,17-20,22-25,27-29H,1H3/t17-,18-,19+,20-,22-/m0/s1

0 references

InChIKey

YJPDUFUDVOEGKU-OTVISBKVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJPDUFUDVOEGKU-OTVISBKVSA-N

(Q105349381)

methyl (2S,3S,4S,5R,6R)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate

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Identifiers

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