(Q105168535)

English

[(2R,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₆H₃₆O₂₀

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instance of

group of stereoisomers

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1 reference

1 reference

788.1799935520002 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₆H₃₆O₂₀

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canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)C(OC5OC(CO)C(O)C(O)C5O)C(O)C1O)C=CC6=CC=C(O)C(O)=C6

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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Identifiers

InChI

InChI=1S/C36H36O20/c37-11-22-26(45)29(48)31(50)35(53-22)56-34-30(49)27(46)23(12-51-24(44)6-2-13-1-4-16(39)18(41)7-13)54-36(34)55-33-28(47)25-20(43)9-15(38)10-21(25)52-32(33)14-3-5-17(40)19(42)8-14/h1-10,22-23,26-27,29-31,34-43,45-46,48-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,31-,34-,35?,36?/m1/s1

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InChIKey

MNQXYDTZVQQBJH-OKELTNDYSA-N

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PubChem CID

162958841

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MNQXYDTZVQQBJH-OKELTNDYSA-N

(Q105168535)

[(2R,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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