(Q111734412)

English

(2E)-3-[(3R,4R)-4-(acetyloxy)-3,4-dihydroxycyclohexa-1,5-dien-1-yl]prop-2-enoic acid

chemical compound

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Statements

type of chemical entity

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(2E)-3-[4-(acetyloxy)-3,4-dihydroxycyclohexa-1,5-dien-1-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

240.063388104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₂O₆

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canonical SMILES

O=C(O)C=CC=1C=CC(O)(OC(=O)C)C(O)C1

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isomeric SMILES

CC(=O)O[C@]1(O)C=CC(/C=C/C(=O)O)=C[C@H]1O

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Populus ciliata

1 reference

Analysis of phenolics of bud exudate of Populus ciliata by GC-MS

Identifiers

InChI=1S/C11H12O6/c1-7(12)17-11(16)5-4-8(6-9(11)13)2-3-10(14)15/h2-6,9,13,16H,1H3,(H,14,15)/b3-2+/t9-,11-/m1/s1

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XJRSZZKLVPJUKO-ONKIFHLLSA-N

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