(Q105234341)

English

Tricin 7-diglucuronoside

group of stereoisomers with the chemical formula C₂₉H₃₀O₁₉

In more languages

Statements

group of stereoisomers

0 references

1 reference

682.1381287400001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₀O₁₉

0 references

canonical SMILES

O=C(O)C1OC(OC2C(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C=5C=C(OC)C(O)=C(OC)C5)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

0 references

Identifiers

InChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)

0 references

RDNMWJOGZVGRGW-UHFFFAOYSA-N

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RDNMWJOGZVGRGW-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-RIKEN-PR309283

1 reference

RDNMWJOGZVGRGW-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

MSBNK-RIKEN-PR310968

1 reference

RDNMWJOGZVGRGW-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RDNMWJOGZVGRGW-UHFFFAOYSA-N

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