(Q105276451)

English

(2Z)-3-[5,6,11,13-tetrahydroxy-4-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(13),9,11-trien-12-yl]but-2-enoic acid

group of stereoisomers with the chemical formula C₂₂H₂₈O₁₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

516.147905576 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₁₄

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canonical SMILES

O=C(O)C=C(C=1C(O)=C(C=2OC3C(O)C(O)C(OC3C2C1O)CO)C4OC(CO)C(O)C(O)C4O)C

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isomeric SMILES

C/C(=C/C(=O)O)c1c(O)c(C2OC(CO)C(O)C(O)C2O)c2c(c1O)C1OC(CO)C(O)C(O)C1O2

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A new anti-inflammatory glucoside from Ficus racemosa L.

Identifiers

InChI

InChI=1S/C22H28O14/c1-5(2-8(25)26)9-14(29)10(20-18(33)16(31)12(27)6(3-23)34-20)19-11(15(9)30)21-22(36-19)17(32)13(28)7(4-24)35-21/h2,6-7,12-13,16-18,20-24,27-33H,3-4H2,1H3,(H,25,26)/b5-2-

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InChIKey

UOMHRBZAKXQMCC-DJWKRKHSSA-N

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(Q105276451)

(2Z)-3-[5,6,11,13-tetrahydroxy-4-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(13),9,11-trien-12-yl]but-2-enoic acid

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