(Q105029426)

English

(2,4-dihydroxyphenyl)-[(2R,3R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(S)-(4-hydroxyphenyl)-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl]oxolan-3-yl]methanone

chemical compound

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instance of

type of chemical entity

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subclass of

(2,4-dihydroxyphenyl)-[(2R,3R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl]oxolan-3-yl]methanone

1 reference

based on heuristic

inferred from SMILES

mass

786.231241276 dalton

1 reference

1 reference

C₄₅H₃₈O₁₃

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canonical SMILES

O=C(C1=CC=C(O)C=C1O)C2C(OC(C3=CC=C(O)C=C3O)C2C(C4=CC=C(O)C=C4)C=5C(O)=CC(O)=C6C5OC(C7=CC=C(O)C=C7)C(O)C6)C8=CC=C(O)C=C8

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isomeric SMILES

O=C(c1ccc(O)cc1O)[C@H]1[C@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@@H]1[C@@H](c1ccc(O)cc1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H](O)C2

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found in taxon

Ochna calodendron

1 reference

stated in

Triflavonoids of Ochna calodendron

Identifiers

InChI

InChI=1S/C45H38O13/c46-24-7-1-21(2-8-24)37(38-35(54)20-34(53)31-19-36(55)42(57-45(31)38)22-3-9-25(47)10-4-22)39-40(41(56)29-15-13-27(49)17-32(29)51)43(23-5-11-26(48)12-6-23)58-44(39)30-16-14-28(50)18-33(30)52/h1-18,20,36-37,39-40,42-44,46-55H,19H2/t36-,37+,39-,40+,42-,43+,44-/m1/s1

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InChIKey

HJSXVDZCHBGWGS-NBLFAAJMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJSXVDZCHBGWGS-NBLFAAJMSA-N

(Q105029426)

(2,4-dihydroxyphenyl)-[(2R,3R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(S)-(4-hydroxyphenyl)-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl]oxolan-3-yl]methanone

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