(Q104947909)

English

methyl (4S,5E,6S)-4-[2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3S,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 4-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

686.242199884 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (4S,5E,6S)-4-[2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₂O₁₇

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OC3C(O)C(O)C(OCCC4=CC=C(O)C=C4)OC3CO

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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)O[C@H]1[C@@H](O)[C@H](O)[C@H](OCCc2ccc(O)cc2)O[C@@H]1CO

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found in taxon

Ligustrum japonicum

1 reference

stated in

New Secoiridoid Glucosides from Ligustrum japonicum

Ligustrum lucidum

2 references

stated in

New Secoiridoid Glucosides from Ligustrum japonicum

stated in

Antioxidative glucosides from the fruits of Ligustrum lucidum

Identifiers

InChI

InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)13-44-29(16)48-31-25(39)23(37)22(36)19(11-32)45-31)10-21(35)47-27-20(12-33)46-30(26(40)24(27)38)43-9-8-14-4-6-15(34)7-5-14/h3-7,13,17,19-20,22-27,29-34,36-40H,8-12H2,1-2H3/b16-3+/t17-,19+,20+,22+,23-,24-,25-,26-,27+,29-,30+,31-/m0/s1

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InChIKey

BXFDSXRULGPMLO-SEPJQBRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BXFDSXRULGPMLO-SEPJQBRWSA-N

(Q104947909)

methyl (4S,5E,6S)-4-[2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Statements

Identifiers

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