(Q105329100)

English

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

chemical compound

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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}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

376.136946968 dalton

1 reference

1 reference

C₁₆H₂₄O₁₀

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CCC3CO

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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]2[C@@H](CO)CC[C@@H]12

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found in taxon

Cordylanthus kingii

1 reference

stated in

C-8 Epimeric iridoid glycosides of Cordylanthus (scrophulariaceae) species

Identifiers

InChI

InChI=1S/C16H24O10/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/h5-7,9-13,15-21H,1-4H2,(H,22,23)/t6-,7+,9-,10+,11-,12+,13-,15+,16+/m1/s1

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InChIKey

XJOPDXRZTFGTIW-CLTNYIICSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XJOPDXRZTFGTIW-CLTNYIICSA-N

1 reference

(Q105329100)

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

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Identifiers

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