(Q105027579)

English

[(2S,3S,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

stilbenoid

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mass

558.137340892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₆O₁₃

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC=2C(O)=CC(O)=CC2C=CC3=CC=C(O)C=C3)CO)C4=CC(O)=C(O)C(O)=C4

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isomeric SMILES

O=C(O[C@@H]1[C@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

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Identifiers

InChI

InChI=1S/C27H26O13/c28-11-20-22(35)23(36)25(39-26(37)14-8-17(31)21(34)18(32)9-14)27(38-20)40-24-13(7-16(30)10-19(24)33)4-1-12-2-5-15(29)6-3-12/h1-10,20,22-23,25,27-36H,11H2/b4-1+/t20-,22-,23+,25+,27+/m1/s1

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InChIKey

HFVXPVDJOMGUNC-SKDFPRSTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HFVXPVDJOMGUNC-SKDFPRSTSA-N

(Q105027579)

[(2S,3S,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

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