(Q105142191)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

390.116211524 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

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(=CCC13O)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)=CC[C@]12O

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found in taxon

Lantana camara

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stated in

Lantana camara L. (Verbenaceae).

Lippia alba

1 reference

stated in

Ethnopharmacology of Lippia alba

Identifiers

InChI

InChI=1S/C16H22O11/c17-3-6-1-2-16(24)7(13(22)23)5-25-14(9(6)16)27-15-12(21)11(20)10(19)8(4-18)26-15/h1,5,8-12,14-15,17-21,24H,2-4H2,(H,22,23)/t8-,9+,10-,11+,12+,14+,15+,16+/m1/s1

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InChIKey

KKGHSVKNCUMEEN-JTFFBHRHSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105142191)

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

Statements

Identifiers

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