(Q110191379)

English

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

group of stereoisomers with the chemical formula C₃₂H₄₀O₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

680.2316352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₆

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canonical SMILES

O=C(OCC1OC(OCC2OC(OC3OC=C(C(=O)OC)C4CC=C(CO)C34)C(O)C(O)C2O)C(O)C(O)C1O)C=CC=5C=CC=CC5

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found in taxon

Gardenia jasminoides

1 reference

stated in

Bioactive iridoid glucosides from the fruit of Gardenia jasminoides.

Identifiers

InChI

InChI=1S/C32H40O16/c1-42-29(41)18-12-44-30(22-16(11-33)8-9-17(18)22)48-32-28(40)26(38)24(36)20(47-32)14-45-31-27(39)25(37)23(35)19(46-31)13-43-21(34)10-7-15-5-3-2-4-6-15/h2-8,10,12,17,19-20,22-28,30-33,35-40H,9,11,13-14H2,1H3

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InChIKey

QQBJASYPWTYCQE-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQBJASYPWTYCQE-UHFFFAOYSA-N

(Q110191379)

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

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