(Q105022230)

English

[(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5,6-trihydroxyoxan-3-yl]methyl 3,4,5-trihydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5,6-trihydroxyoxan-3-yl]methyl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

600.111520068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₄O₁₅

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canonical SMILES

O=C(OCC1C(O)C(O)C(O)OC1OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

O=C(OC[C@H]1[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

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Quercus coccifera

1 reference

Dimeric and trimeric hydrolyzable tannins from Quercus coccifera and Quercus suber

1 reference

Dimeric and trimeric hydrolyzable tannins from Quercus coccifera and Quercus suber

Identifiers

InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)24-25(22(36)19-15(31)7-13(30)8-18(19)41-24)42-28-14(20(34)23(37)27(39)43-28)9-40-26(38)11-5-16(32)21(35)17(33)6-11/h1-8,14,20,23,27-35,37,39H,9H2/t14-,20-,23+,27+,28+/m1/s1

0 references

GWDBJTNDUFDXED-QPMYZDFGSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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