(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid (Q105384746)

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chemical compound

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Language	Label	Description	Also known as
English	(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid	chemical compound

Statements

instance of

type of chemical entity

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subclass of

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-,(1S,4aS,5S,7aS)-

1 reference

based on heuristic

inferred from SMILES

(5S)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

390.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

deacetylasperulosidic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

desacetylasperulosidic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

scandoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₂O₁₁

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)CO

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isomeric SMILES

O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12

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found in taxon

Galium rivale

1 reference

stated in

Triterpene saponins and iridoid glucosides from galium rivale

Globularia trichosantha

1 reference

stated in

Iridoid glycosides from Globularia trichosantha

Paederia foetida

1 reference

stated in

Iridoid glycosides and other constituents of Paederia foetida

Saprosma scortechinii

1 reference

stated in

Sulfur-containing bis-iridoid glucosides and iridoid glucosides from Saprosmas cortechinii

Wollastonia biflora

1 reference

stated in

Cytotoxic germacrane-type sesquiterpenes, pimarane-type diterpenes, and a naphthalene derivative from Wollastonia biflora

Identifiers

InChI

InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13-,15-,16-/m0/s1

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InChIKey

ZVXWFPTVHBWJOU-NRVJYAHVSA-N

0 references

PubChem CID

154497437

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZVXWFPTVHBWJOU-NRVJYAHVSA-N

UniChem compound ID

185784244

1 reference

stated in

UniChem

 

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