(Q104994690)

English

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5beta-hydroxy-7-[3-(3-methoxy-4-hydroxyphenyl)propionyloxymethyl]-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5-hydroxy-7-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxymethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

582.194855768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₄

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)COC(=O)CCC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)CCc3ccc(O)c(OC)c3)=C[C@H](O)[C@H]12

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found in taxon

Wendlandia tinctoria

1 reference

stated in

Iridoid glucosides from Wendlandia tinctoria roots

Identifiers

InChI

InChI=1S/C27H34O14/c1-36-17-7-12(3-5-15(17)29)4-6-19(31)38-10-13-8-16(30)21-14(25(35)37-2)11-39-26(20(13)21)41-27-24(34)23(33)22(32)18(9-28)40-27/h3,5,7-8,11,16,18,20-24,26-30,32-34H,4,6,9-10H2,1-2H3/t16-,18+,20+,21-,22+,23-,24+,26-,27-/m0/s1

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InChIKey

FFUVMVIRTFRANO-OONNRXAOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FFUVMVIRTFRANO-OONNRXAOSA-N

1 reference

(Q104994690)

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5beta-hydroxy-7-[3-(3-methoxy-4-hydroxyphenyl)propionyloxymethyl]-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

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