(Q104986004)

English

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₁₅

0 references

canonical SMILES

O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3O)C4OCC(O)C(O)C4O)C=5C=CC(O)=C(OC)C5

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isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)c([C@@H]4OC[C@H](O)[C@@H](O)[C@@H]4O)c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3o2)ccc1O

0 references

found in taxon

Trichophorum cespitosum

1 reference

stated in

The flavonoids of Trichophorum cespitosum

Identifiers

InChI

InChI=1S/C27H30O15/c1-39-13-4-8(2-3-9(13)29)12-5-10(30)15-20(34)16(26-23(37)18(32)11(31)7-40-26)21(35)17(25(15)41-12)27-24(38)22(36)19(33)14(6-28)42-27/h2-5,11,14,18-19,22-24,26-29,31-38H,6-7H2,1H3/t11-,14+,18+,19+,22-,23-,24+,26-,27-/m0/s1

0 references

InChIKey

DOIQOBSMKGBNNE-COMJVEHESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DOIQOBSMKGBNNE-COMJVEHESA-N

(Q104986004)

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

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