(Q104400026)

English

7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-[(2S,3R,4S,5S,6R)-6-[[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one

1 reference

based on heuristic

inferred from SMILES

7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

456.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₁₂

0 references

canonical SMILES

O=C1OC=2C=C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C=CC2C=C1

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isomeric SMILES

O=c1ccc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1

0 references

found in taxon

Kitagawia praeruptora

2 references

stated in

Studies of coumarins from the Chinese drug Qianhu, XXVII: structure of a new simple coumarin glycoside from Bai-Hua Qianhu, Peucedanum praeruptorum

stated in

Structures of glycosides of bai-hua quan-hu1

Pleiospermium alatum

1 reference

stated in

Chemical Constituents of Three Rutaceae Species from Sri Lanka

Gnidia polycephala

3 references

stated in

Phenylpropanoid glycosides of Gnidia polycephala

stated in

Phenylpropanoid glycosides of Gnidia polycephala

stated in

Phenylpropanoid glycosides of Gnidia polycephala

Angelica pubescens

1 reference

stated in

Inhibitory effects of Angelica pubescens f. biserrata on 5-lipoxygenase and cyclooxygenase.

Gmelina arborea

2 references

stated in

An apiose-containing coumarin glycoside from gmelina arborea root

stated in

An apiose-containing coumarin glycoside from gmelina arborea root

Ferulopsis hystrix

1 reference

stated in

Isoimperatorin from Phlojodicarpus sibiricus

Phlojodicarpus villosus

1 reference

stated in

New glycosides from plants of the genus Phlojodicarpus

Identifiers

InChI

InChI=1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1

0 references

InChIKey

SXPBJYHKMRWZNA-ZITSYKRSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104400026)

7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-2-one

Statements

Identifiers

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