(Q105303536)

English

4a-hydroxy-7-({[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

group of stereoisomers with the chemical formula C₂₆H₃₂O₁₃

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instance of

group of stereoisomers

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1 reference

552.184291084 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₁₃

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(COC(=O)C=CC4=CC=C(OC)C=C4)CCC13O

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isomeric SMILES

COc1ccc(/C=C/C(=O)OCC2CCC3(O)C(C(=O)O)=COC(OC4OC(CO)C(O)C(O)C4O)C23)cc1

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found in taxon

Avicennia officinalis

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stated in

Iridoid glucosides in Avicennia officinalis

Identifiers

InChI

InChI=1S/C26H32O13/c1-35-15-5-2-13(3-6-15)4-7-18(28)36-11-14-8-9-26(34)16(23(32)33)12-37-24(19(14)26)39-25-22(31)21(30)20(29)17(10-27)38-25/h2-7,12,14,17,19-22,24-25,27,29-31,34H,8-11H2,1H3,(H,32,33)/b7-4+

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InChIKey

WETBCARGXBCEGD-QPJJXVBHSA-N

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(Q105303536)

4a-hydroxy-7-({[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

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