(Q105304822)

English

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-[6-[[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₅

0 references

canonical SMILES

O=C1C=C(OC2=CC(OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)=CC(O)=C12)C=5C=CC(O)=C(OC)C5

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isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O

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found in taxon

Phlomis nissolii

1 reference

stated in

Flavonoids from Phlomis nissolii

Identifiers

InChI

InChI=1S/C27H30O15/c1-37-16-4-10(2-3-12(16)29)15-7-14(31)20-13(30)5-11(6-17(20)40-15)39-27-25(36)23(34)22(33)19(42-27)9-38-26-24(35)21(32)18(8-28)41-26/h2-7,18-19,21-30,32-36H,8-9H2,1H3/t18-,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1

0 references

InChIKey

WGQZBBOLNCUXLC-OVYGZGMLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105304822)

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

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