(Q59900987)

English

ferulic acid 4-glucuronide

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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370.08999677599985 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₆H₁₈O₁₀

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canonical SMILES

COc1cc(C=CC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

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Identifiers

InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1

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TWSIWBHKRJLZCF-MBAOVNHDSA-N

0 references

1 reference

matched by identifier from

TWSIWBHKRJLZCF-MBAOVNHDSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID401341677

1 reference

matched by identifier from

TWSIWBHKRJLZCF-MBAOVNHDSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

TWSIWBHKRJLZCF-MBAOVNHDSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

TWSIWBHKRJLZCF-MBAOVNHDSA-N

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