(Q105268234)

English

methyl 5-ethylidene-4-[2-[2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]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 C₃₁H₄₂O₁₈

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instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

1 reference

inferred from

secoiridoid monoterpenoid

mass

702.2371145040001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₂O₁₈

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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(OC4OC(CO)C(O)C(O)C4O)C(O)=C3

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Identifiers

InChI

InChI=1S/C31H42O18/c1-3-14-15(16(28(42)43-2)12-45-29(14)49-31-27(41)25(39)23(37)20(11-33)48-31)9-21(35)44-7-6-13-4-5-18(17(34)8-13)46-30-26(40)24(38)22(36)19(10-32)47-30/h3-5,8,12,15,19-20,22-27,29-34,36-41H,6-7,9-11H2,1-2H3

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InChIKey

TZKSBCFVWWWMJO-UHFFFAOYSA-N

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PubChem CID

78122785

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TZKSBCFVWWWMJO-UHFFFAOYSA-N

(Q105268234)

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

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