(Q105351051)

English

methyl (2R,3R,4S)-3-ethenyl-4-[2-oxo-2-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methoxy]ethyl]-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 3-ethenyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methoxy]ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

726.200728996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S,3R,4S)-3-ethenyl-4-[2-oxo-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methoxy]ethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₈O₁₉

0 references

canonical SMILES

O=C1OC=2C=C(OC3OC(COC(=O)CC4C(=COC(OC5OC(CO)C(O)C(O)C5O)C4C=C)C(=O)OC)C(O)C(O)C3O)C(O)=CC2C=C1

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isomeric SMILES

C=C[C@@H]1[C@H](CC(=O)OC[C@@H]2O[C@@H](Oc3cc4oc(=O)ccc4cc3O)[C@H](O)[C@@H](O)[C@@H]2O)C(C(=O)OC)=CO[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Fraxinus chinensis

1 reference

stated in

Secoiridoid, coumarin and secoiridoid-coumarin glucosides from Fraxinus chinensis

Identifiers

InChI

InChI=1S/C32H38O19/c1-3-13-14(15(29(43)44-2)10-46-30(13)51-32-28(42)25(39)23(37)19(9-33)49-32)7-22(36)45-11-20-24(38)26(40)27(41)31(50-20)48-18-8-17-12(6-16(18)34)4-5-21(35)47-17/h3-6,8,10,13-14,19-20,23-28,30-34,37-42H,1,7,9,11H2,2H3/t13-,14+,19+,20+,23-,24-,25+,26+,27-,28-,30-,31-,32+/m1/s1

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InChIKey

YNOUJPHGTJKBFJ-LHEHEVGASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YNOUJPHGTJKBFJ-LHEHEVGASA-N

(Q105351051)

methyl (2R,3R,4S)-3-ethenyl-4-[2-oxo-2-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methoxy]ethyl]-2-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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Identifiers

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