(Q105341330)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl (5E)-5-ethylidene-4-[2-oxo-2-({3,4,5-trihydroxy-6-[(7-hydroxy-2-oxochromen-6-yl)oxy]oxan-2-yl}methoxy)ethyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

726.200728996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₈O₁₉

0 references

canonical SMILES

O=C1OC=2C=C(O)C(OC3OC(COC(=O)CC4C(=COC(OC5OC(CO)C(O)C(O)C5O)C4=CC)C(=O)OC)C(O)C(O)C3O)=CC2C=C1

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isomeric SMILES

C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC[C@@H]1O[C@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Fraxinus ornus

1 reference

stated in

Escuside, a new coumarin-secoiridoid from Fraxinus ornus bark

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)48-18-6-12-4-5-21(35)47-17(12)8-16(18)34/h3-6,8,10,14,19-20,23-28,30-34,37-42H,7,9,11H2,1-2H3/b13-3+/t14-,19-,20+,23-,24+,25+,26-,27+,28-,30+,31+,32+/m1/s1

0 references

InChIKey

XSXBQKATBVMPJH-XQKPHYTASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XSXBQKATBVMPJH-XQKPHYTASA-N

(Q105341330)

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

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Identifiers

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