(Q104252921)

English

(Z)-methyl 4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-3-ethylidene-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3,4-dihydro-2H-pyran-5-carboxylate

group of stereoisomers with the chemical formula C₂₅H₃₂O₁₃

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instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

540.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₁₃

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCCC3=CC=C(O)C(O)=C3

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isomeric SMILES

CC=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1

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found in taxon

Brucea javanica

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stated in

A secoiridoid glucoside from Olea europaea

Identifiers

InChI

InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/t14?,18-,20-,21+,22-,24?,25+/m1/s1

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InChIKey

RFWGABANNQMHMZ-DAYOUXAKSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RFWGABANNQMHMZ-DAYOUXAKSA-N

1 reference

(Q104252921)

(Z)-methyl 4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-3-ethylidene-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3,4-dihydro-2H-pyran-5-carboxylate

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