(Q105289197)

English

2-(4-hydroxyphenyl)ethyl 5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

group of stereoisomers with the chemical formula C₃₂H₃₈O₁₃

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instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

630.231241276 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₈O₁₃

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canonical SMILES

O=C(OCCC1=CC=C(O)C=C1)C2=COC(OC3OC(CO)C(O)C(O)C3O)C(=CC)C2CC(=O)OCCC4=CC=C(O)C=C4

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Identifiers

InChI

InChI=1S/C32H38O13/c1-2-22-23(15-26(36)41-13-11-18-3-7-20(34)8-4-18)24(30(40)42-14-12-19-5-9-21(35)10-6-19)17-43-31(22)45-32-29(39)28(38)27(37)25(16-33)44-32/h2-10,17,23,25,27-29,31-35,37-39H,11-16H2,1H3

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InChIKey

VMQOLVQBURNDRH-UHFFFAOYSA-N

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PubChem CID

75111098

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VMQOLVQBURNDRH-UHFFFAOYSA-N

(Q105289197)

2-(4-hydroxyphenyl)ethyl 5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

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