(Q110204446)

English

Anthocyanin [M+]|Coumaroylated Anthocyanidin Gloucoside|3-(Coum-Rha-Glc)-Petunidin

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(OC1C(O)C(O)C(OCC2OC(OC3=CC=4C(O)=CC(O)=CC4[O+]=C3C=5C=C(O)C(O)=C(OC)C5)C(O)C(O)C2O)OC1C)C=CC6=CC=C(O)C=C6

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found in taxon

potato

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stated in

Structure of petanin, an acylated anthocyanin isolated from solanum tuberosum, using homo-and hetero-nuclear two-dimensional nuclear magnetic resonance techniques

Identifiers

InChI

InChI=1S/C37H38O18/c1-15-34(55-27(42)8-5-16-3-6-18(38)7-4-16)31(46)33(48)36(51-15)50-14-26-29(44)30(45)32(47)37(54-26)53-25-13-20-21(40)11-19(39)12-23(20)52-35(25)17-9-22(41)28(43)24(10-17)49-2/h3-13,15,26,29-34,36-37,44-48H,14H2,1-2H3,(H4-,38,39,40,41,42,43)/p+1

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InChIKey

GGHKWVKYMAQQGH-UHFFFAOYSA-O

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GGHKWVKYMAQQGH-UHFFFAOYSA-O

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GGHKWVKYMAQQGH-UHFFFAOYSA-O

1 reference

(Q110204446)

Anthocyanin [M+]|Coumaroylated Anthocyanidin Gloucoside|3-(Coum-Rha-Glc)-Petunidin

Statements

Identifiers

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