(Q104908662)

English

5-[3-[3,5-Dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid

group of stereoisomers with the chemical formula C₂₉H₄₂O₁₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

678.6341 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₁₈

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canonical SMILES

O=C(O)CC(OC1OC(CO)C(O)C(O)C1O)(C)CC(=O)OCC=CC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2

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Identifiers

InChI

InChI=1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)

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InChIKey

ABKPQICIFGNRAA-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ABKPQICIFGNRAA-UHFFFAOYSA-N

1 reference

(Q104908662)

5-[3-[3,5-Dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid

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