(Q110196663)

English

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

group of stereoisomers with the chemical formula C₂₆H₃₀O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

534.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₀O₁₂

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canonical SMILES

O=C(OCC1OC(OC2OC=C(C(=O)OC)C3CC=C(CO)C23)C(O)C(O)C1O)C=CC4=CC=C(O)C=C4

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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/C26H30O12/c1-34-24(33)17-11-36-25(20-14(10-27)5-8-16(17)20)38-26-23(32)22(31)21(30)18(37-26)12-35-19(29)9-4-13-2-6-15(28)7-3-13/h2-7,9,11,16,18,20-23,25-28,30-32H,8,10,12H2,1H3

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InChIKey

IVYAOUHUAWZJDB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IVYAOUHUAWZJDB-UHFFFAOYSA-N

(Q110196663)

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

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Identifiers

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