(Q110178827)

English

6-(3,4-dihydroxyphenyl)-9-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-[1,3]dioxolo[4,5-g]chromen-8-one

chemical compound

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instance of

type of chemical entity

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subclass of

6-(3,4-Dihydroxyphenyl)-9-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-[1,3]dioxolo[4,5-g]chromen-8-one

1 reference

based on heuristic

inferred from SMILES

mass

638.1482995 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₀O₁₇

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canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC=5OCOC5C(O)=C14)C=6C=CC(O)=C(O)C6

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isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc5c(c(O)c4c3=O)OCO5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Atriplex littoralis

1 reference

stated in

Phenolic Compounds from Atriplex littoralis and Their Radiation-Mitigating Activity

Identifiers

InChI

InChI=1S/C28H30O17/c1-8-16(31)20(35)22(37)27(42-8)39-6-14-17(32)21(36)23(38)28(44-14)45-26-19(34)15-12(5-13-25(18(15)33)41-7-40-13)43-24(26)9-2-3-10(29)11(30)4-9/h2-5,8,14,16-17,20-23,27-33,35-38H,6-7H2,1H3/t8-,14+,16-,17+,20+,21-,22+,23+,27+,28-/m0/s1

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InChIKey

JLVNQQVLSLMEHM-IHXONYQQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JLVNQQVLSLMEHM-IHXONYQQSA-N

1 reference

(Q110178827)

6-(3,4-dihydroxyphenyl)-9-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-[1,3]dioxolo[4,5-g]chromen-8-one

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