(Q105005050)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

800.21637906 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₀O₁₉

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canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(OC)C4)C(OC5OC(C)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]2O[C@@H](Oc3c(-c4ccc(O)c(OC)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Opuntia ficus-indica

1 reference

stated in

Secondary metabolites from Opuntia ficus-indica var. saboten.

Identifiers

InChI

InChI=1S/C38H40O19/c1-15-28(44)31(47)33(49)37(53-15)57-36-32(48)29(45)25(14-52-26(43)9-5-16-4-7-19(40)22(10-16)50-2)55-38(36)56-35-30(46)27-21(42)12-18(39)13-24(27)54-34(35)17-6-8-20(41)23(11-17)51-3/h4-13,15,25,28-29,31-33,36-42,44-45,47-49H,14H2,1-3H3/b9-5+/t15-,25+,28-,29+,31+,32-,33+,36+,37-,38-/m0/s1

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InChIKey

FZMZTQDLCZCIPI-QPFWRITASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FZMZTQDLCZCIPI-QPFWRITASA-N

1 reference

(Q105005050)

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

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Identifiers

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