(Q105141749)

English

1-hydroxy-3-(hydroxymethyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione

group of stereoisomers with the chemical formula C₂₁H₂₀O₁₀

In more languages

Statements

group of stereoisomers

0 references

biogenic anthraquinones

1 reference

biogenic anthraquinones

432.10564683999974 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₁₀

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canonical SMILES

O=C1C=2C=CC=C(OC3OC(CO)C(O)C(O)C3O)C2C(=O)C4=C(O)C=C(C=C14)CO

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Identifiers

InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2

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KIZBWUUJNJEYCM-UHFFFAOYSA-N

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KIZBWUUJNJEYCM-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-Washington_State_Univ-BML80710

1 reference

KIZBWUUJNJEYCM-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

MSBNK-Washington_State_Univ-BML80711

1 reference

KIZBWUUJNJEYCM-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

KIZBWUUJNJEYCM-UHFFFAOYSA-N

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