(Q105103031)

English

4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₆H₄₈O₁₉

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instance of

group of stereoisomers

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1 reference

784.2789793159999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₈O₁₉

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(OC)=C2)C(O)C1OC3OCC(O)(CO)C3O)COC4OC(C)C(O)C(O)C4O)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OC2C(COC3OC(C)C(O)C(O)C3O)OC(OCCc3ccc(O)c(OC)c3)C(O)C2OC2OCC(O)(CO)C2O)ccc1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H48O19/c1-17-26(41)27(42)28(43)33(52-17)50-14-24-30(54-25(40)9-6-18-4-7-20(38)22(12-18)47-2)31(55-35-32(45)36(46,15-37)16-51-35)29(44)34(53-24)49-11-10-19-5-8-21(39)23(13-19)48-3/h4-9,12-13,17,24,26-35,37-39,41-46H,10-11,14-16H2,1-3H3/b9-6+

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InChIKey

CPJOAPUBOVBXHM-RMKNXTFCSA-N

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PubChem CID

6450127

1 reference

matched by identifier from

InChIKey

CPJOAPUBOVBXHM-RMKNXTFCSA-N

KNApSAcK ID

C00058651

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CPJOAPUBOVBXHM-RMKNXTFCSA-N

(Q105103031)

4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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