(Q105242478)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

608.137734816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₈O₁₆

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canonical SMILES

O=C1C=C(OC2=CC(OC3OC(C(=O)OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=CC(O)=C12)C=5C=CC(O)=CC5

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isomeric SMILES

O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Tanacetum parthenium

1 reference

stated in

The flavonoids of Tanacetum parthenium and T. vulgare and their anti-inflammatory properties

Identifiers

InChI

InChI=1S/C27H28O16/c28-8-16-18(32)19(33)22(36)27(41-16)43-25(38)24-21(35)20(34)23(37)26(42-24)39-11-5-12(30)17-13(31)7-14(40-15(17)6-11)9-1-3-10(29)4-2-9/h1-7,16,18-24,26-30,32-37H,8H2/t16-,18-,19+,20+,21+,22-,23-,24+,26-,27+/m1/s1

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InChIKey

ROUSTQYENLSRHG-KIPBASEPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ROUSTQYENLSRHG-KIPBASEPSA-N

(Q105242478)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

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