(Q104998175)

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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₇H₃₈O₂₀

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instance of

group of stereoisomers

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1 reference

1 reference

802.1956436160002 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₃₈O₂₀

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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(OC)=C6

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O

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Identifiers

InChI

InChI=1S/C37H38O20/c1-51-21-8-14(2-5-18(21)41)3-7-25(44)52-13-24-28(46)31(49)35(57-36-32(50)30(48)27(45)23(12-38)54-36)37(55-24)56-34-29(47)26-20(43)10-16(39)11-22(26)53-33(34)15-4-6-17(40)19(42)9-15/h2-11,23-24,27-28,30-32,35-43,45-46,48-50H,12-13H2,1H3/b7-3+/t23-,24-,27-,28-,30+,31+,32-,35-,36?,37?/m1/s1

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InChIKey

FNABKFVLLFACGU-HADJKQLJSA-N

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PubChem CID

162935590

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FNABKFVLLFACGU-HADJKQLJSA-N

(Q104998175)

[(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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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