(Q105306983)

English

(1S,4aR,7R,7aS)-7-hydroxy-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

7-hydroxy-7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

536.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-

1 reference

based on heuristic

inferred from InChI

(1R,4aR,7S,7aR)-7-hydroxy-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

1 reference

1 reference

(1R,4aR,7R,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₈O₁₃

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)COC(=O)C=CC4=CC=C(O)C=C4

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isomeric SMILES

O=C(/C=C\c1ccc(O)cc1)OC[C@@]1(O)C=C[C@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21

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found in taxon

Andromeda polifolia

1 reference

stated in

Andromedosid, ein neues Iridoidglykosid aus Andromeda polifolia L.

Identifiers

InChI

InChI=1S/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3-/t14-,16+,18+,19+,20-,21+,23-,24-,25-/m0/s1

0 references

InChIKey

WJPRKOJNQIZCGY-WDIYCEQZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJPRKOJNQIZCGY-WDIYCEQZSA-N

(Q105306983)

(1S,4aR,7R,7aS)-7-hydroxy-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

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