(Q105158131)

English

(1S,2S,3S,4R,5S,7R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,4-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-2,4-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

398.084911396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₁₈O₁₁

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canonical SMILES

O=C(O)C12OC(CO)C(O1)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2O

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O)[C@@H]2O[C@@](C(=O)O)(O[C@@H]2CO)[C@@H]1O

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found in taxon

Smallanthus sonchifolius

1 reference

stated in

Novel octulosonic acid derivatives in the composite Smallanthus sonchifolius

Identifiers

InChI

InChI=1S/C17H18O11/c18-6-10-13-12(22)14(15(23)17(27-10,28-13)16(24)25)26-11(21)4-2-7-1-3-8(19)9(20)5-7/h1-5,10,12-15,18-20,22-23H,6H2,(H,24,25)/b4-2+/t10-,12+,13-,14+,15-,17+/m1/s1

0 references

InChIKey

LVYGKNMXICZSSF-YVJSKZNASA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

LVYGKNMXICZSSF-YVJSKZNASA-N

1 reference

(Q105158131)

(1S,2S,3S,4R,5S,7R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,4-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

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