(Q104950904)

English

[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[4,5-Dihydroxy-6-[[5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

780.190164312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-(4-Methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-[4-O,6-O-bis(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-2,3-dihydro-4H-1-benzopyran-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₃₆O₁₈

0 references

canonical SMILES

O=C(OCC1OC(OC=2C(=C(O)C=3C(=O)CC(OC3C2C)C4=CC=C(OC)C=C4)C)C(O)C(O)C1OC(=O)C5=CC(O)=C(O)C(O)=C5)C6=CC(O)=C(O)C(O)=C6

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isomeric SMILES

COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O[C@@H]4O[C@@H](COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)[C@H]4O)c(C)c3O2)cc1

0 references

found in taxon

Miconia myriantha

1 reference

stated in

Phenolic compounds from Miconia myriantha inhibiting Candida aspartic proteases

Identifiers

InChI

InChI=1S/C38H36O18/c1-14-28(44)27-20(39)12-25(16-4-6-19(51-3)7-5-16)53-34(27)15(2)33(14)56-38-32(48)31(47)35(55-37(50)18-10-23(42)30(46)24(43)11-18)26(54-38)13-52-36(49)17-8-21(40)29(45)22(41)9-17/h4-11,25-26,31-32,35,38,40-48H,12-13H2,1-3H3/t25-,26-,31+,32+,35+,38-/m0/s1

0 references

InChIKey

CABURBSWUISLOV-ZSQFHZLMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104950904)

[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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