(Q104947520)

English

3-[[6-(1,8-Dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

group of stereoisomers with the chemical formula C₂₄H₂₂O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

biogenic anthraquinones

1 reference

inferred from

biogenic anthraquinones

mass

518.1060407639997 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₂O₁₃

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canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=C(O)C=3C(=O)C=4C(O)=CC=CC4C(=O)C3C=C2C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C24H22O13/c1-8-5-10-16(19(31)15-9(17(10)29)3-2-4-11(15)25)20(32)23(8)37-24-22(34)21(33)18(30)12(36-24)7-35-14(28)6-13(26)27/h2-5,12,18,21-22,24-25,30,32-34H,6-7H2,1H3,(H,26,27)

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InChIKey

BWQJNUIZXDNIAY-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BWQJNUIZXDNIAY-UHFFFAOYSA-N

1 reference

(Q104947520)

3-[[6-(1,8-Dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

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Identifiers

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