(Q105007184)

English

1-[4-[(1R,2S)-1,3-dihydroxy-1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-2-yl]oxy-3,5-dimethoxyphenyl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

1-[4-[1,3-Dihydroxy-1-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-2-yl]oxy-3,5-dimethoxyphenyl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

554.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[4-[(1R,2S)-1,3-dihydroxy-1-[3-methoxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-2-yl]oxy-3,5-dimethoxyphenyl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₁₃

0 references

canonical SMILES

O=C(C1=CC(OC)=C(OC(CO)C(O)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2)C(OC)=C1)C

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isomeric SMILES

COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(C(C)=O)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Echinacea purpurea

1 reference

stated in

Structure and accumulation of phenolics in elicited Echinacea purpurea cell cultures

Identifiers

InChI

InChI=1S/C26H34O13/c1-12(29)14-8-17(35-3)25(18(9-14)36-4)37-19(10-27)21(30)13-5-6-15(16(7-13)34-2)38-26-24(33)23(32)22(31)20(11-28)39-26/h5-9,19-24,26-28,30-33H,10-11H2,1-4H3/t19-,20+,21+,22+,23-,24+,26+/m0/s1

0 references

InChIKey

GEIZNIKJJFLIOO-FOTMUQFQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105007184)

1-[4-[(1R,2S)-1,3-dihydroxy-1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-2-yl]oxy-3,5-dimethoxyphenyl]ethanone

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