(Q105019105)

English

3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

group of stereoisomers with the chemical formula C₃₄H₄₂O₂₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

3'C-substituted flavone

1 reference

inferred from

3'C-substituted flavone

mass

770.226943744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂O₂₀

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canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=C(OC6OC(CO)C(O)C(O)C6O)C(O)=C(C5)C

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found in taxon

Ajuga integrifolia

1 reference

stated in

Flavonol and iridoid glycosides of Ajuga remota aerial parts

Identifiers

InChI

InChI=1S/C34H42O20/c1-9-4-12(5-16(19(9)38)51-33-28(47)25(44)22(41)17(8-35)52-33)29-30(23(42)18-14(37)6-13(36)7-15(18)50-29)53-34-31(26(45)21(40)11(3)49-34)54-32-27(46)24(43)20(39)10(2)48-32/h4-7,10-11,17,20-22,24-28,31-41,43-47H,8H2,1-3H3

0 references

InChIKey

GTNKHQGXDJMAJG-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105019105)

3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Statements

Identifiers

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