(Q104947910)

English

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

group of stereoisomers with the chemical formula C₃₁H₄₂O₁₇

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instance of

group of stereoisomers

0 references

subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

686.2421998840001 dalton

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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found in taxon

Ligustrum japonicum

1 reference

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

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InChIKey

BXFDSXRULGPMLO-UHFFFAOYSA-N

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CAS Registry Number

112693-22-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BXFDSXRULGPMLO-UHFFFAOYSA-N

DSSTox substance ID

DTXSID401317577

1 reference

matched by identifier from

InChIKey

BXFDSXRULGPMLO-UHFFFAOYSA-N

(Q104947910)

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

Statements

Identifiers

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