(Q110080696)

English

[3,4,5-Trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₇H₃₉O₁₈⁺

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Statements

instance of

group of stereoisomers

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subclass of

organic cation

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mass

771.21309082809 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₉O₁₈⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=C(OC)C5)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

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found in taxon

Vitis vinifera

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stated in

Acylated anthocyanins in a hybrid Vitis variety

Vitis amurensis

1 reference

stated in

Acylated anthocyanins in a hybrid Vitis variety

basil

1 reference

stated in

Anthocyanins in Basil (Ocimum basilicumL.)

Identifiers

InChI

InChI=1S/C37H38O18/c1-49-24-10-17(5-8-21(24)41)35-25(13-20-22(51-35)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36)53-37-34(48)32(46)30(44)27(55-37)15-50-28(42)9-4-16-2-6-18(39)7-3-16/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1

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InChIKey

YOBDYPINTRIHCR-UHFFFAOYSA-O

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YOBDYPINTRIHCR-UHFFFAOYSA-O

(Q110080696)

[3,4,5-Trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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