(Q110188577)

English

[(2S,3R,4R,5S,6R)-2-[[(3R,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate

1 reference

based on heuristic

inferred from SMILES

mass

586.16864102 dalton

1 reference

1 reference

C₂₉H₃₀O₁₃

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canonical SMILES

O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(O)C3OC(=O)C4=C(O)C=C(O)C=C4C5=CC=CC(O)=C5)C2C=C

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isomeric SMILES

C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1OC(=O)c1c(O)cc(O)cc1-c1cccc(O)c1

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found in taxon

Swertia chirata

1 reference

stated in

Assessment of systemic interaction between Swertia chirata extract and its Bioactive constituents in rabbits

Identifiers

InChI

InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24-,25-,28-,29+/m1/s1

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InChIKey

DBOVHQOUSDWAPQ-DBMANHMOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DBOVHQOUSDWAPQ-DBMANHMOSA-N

(Q110188577)

[(2S,3R,4R,5S,6R)-2-[[(3R,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate

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Identifiers

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