(Q105377824)

English

(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2R,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

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Statements

instance of

type of chemical entity

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subclass of

7-(Hydroxymethyl)-1-[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

374.121296904 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4aR,7aR)-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 InChI

(1R,4aR,7aR)-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

1 reference

C₁₆H₂₂O₁₀

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CCC13)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@H]12

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found in taxon

Avicennia officinalis

1 reference

stated in

Iridoid glucosides in Avicennia officinalis

Canthium berberidifolium

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stated in

Iridoid and phenolic diglycosides from Canthium berberidifolium

Cistanche tubulosa

1 reference

stated in

Monoterpene constituents from Cistanche tubulosa--chemical structures of kankanosides A-E and kankanol-

Eucommia ulmoides

1 reference

stated in

Iridoids from the green leaves of Eucommia ulmoides

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

Gmelina philippensis

1 reference

stated in

Iridoid glycosides from Gmelina philippensis

Lippia alba

1 reference

stated in

Ethnopharmacology of Lippia alba

Plantago alpina

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago asiatica

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago major

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago bellardi

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago lundborgii

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Plantago raoulii

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Veronica bellidioides

1 reference

stated in

Iridoid glucosides from three veronica species

Plantago cafra

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Adina trichotoma

1 reference

stated in

Glycosides from the bark of Adina polycephala

Cistanche phelypaea

1 reference

stated in

Monoterpene constituents from Cistanche tubulosa--chemical structures of kankanosides A-E and kankanol-

Plantago bellardii

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Identifiers

InChI

InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1

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InChIKey

ZJDOESGVOWAULF-RGHCVXNGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZJDOESGVOWAULF-RGHCVXNGSA-N

1 reference

(Q105377824)

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

Statements

Identifiers

Sitelinks

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