(Q105144896)

English

[(2S,3S,4S,5R,6S)-2-[2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[2-[2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

632.101349308 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₄O₁₇

0 references

canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC=2C=C(C=C(O)C2O)C=3OC=4C=C(O)C=C(O)C4C(=O)C3O)CO)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

O=C(O[C@@H]1[C@H](Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(O)c2O)O[C@@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

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Geranium pratense

1 reference

Polyphenolic compounds from Geranium pratense and their free radical scavenging activities

Identifiers

InChI=1S/C28H24O17/c29-7-17-21(37)23(39)26(45-27(41)9-2-12(32)19(35)13(33)3-9)28(44-17)43-16-4-8(1-14(34)20(16)36)25-24(40)22(38)18-11(31)5-10(30)6-15(18)42-25/h1-6,17,21,23,26,28-37,39-40H,7H2/t17-,21-,23-,26-,28+/m0/s1

0 references

KRAAAGFTDBNUGE-ZYJNSAMDSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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