(Q105032213)

English

1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid

group of stereoisomers with the chemical formula C₁₆H₂₂O₁₁

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Statements

group of stereoisomers

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secoiridoid monoterpenoid

1 reference

secoiridoid monoterpenoid

390.1162115239998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₂O₁₁

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(OC(=O)CC13)C

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Identifiers

InChI=1S/C16H22O11/c1-5-10-6(2-9(18)25-5)7(14(22)23)4-24-15(10)27-16-13(21)12(20)11(19)8(3-17)26-16/h4-6,8,10-13,15-17,19-21H,2-3H2,1H3,(H,22,23)

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HQEBQNGGKFIFBW-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HQEBQNGGKFIFBW-UHFFFAOYSA-N

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