(Q110080730)

English

3-[[6-[3-[4,5-Dihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

group of stereoisomers with the chemical formula C₄₅H₄₉O₂₅⁺

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Statements

instance of

group of stereoisomers

0 references

subclass of

organic cation

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mass

989.25574348809 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₄₉O₂₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC(O)=CC=3[O+]=C(C(OC4OC(COC(=O)C=CC5=CC=C(O)C(OC)=C5)C(O)C(O)C4OC6OCC(O)C(O)C6O)=CC23)C=7C=CC(O)=CC7)C(O)C(O)C1O

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found in taxon

Matthiola incana

1 reference

stated in

Acylated pelargonidin 3-sambubioside-5-glucosides in Matthiola incana

Identifiers

InChI

InChI=1S/C45H48O25/c1-61-27-10-18(2-8-23(27)48)3-9-32(52)62-16-30-36(56)38(58)42(70-43-39(59)34(54)24(49)15-64-43)45(69-30)67-28-13-22-25(65-41(28)19-4-6-20(46)7-5-19)11-21(47)12-26(22)66-44-40(60)37(57)35(55)29(68-44)17-63-33(53)14-31(50)51/h2-13,24,29-30,34-40,42-45,49,54-60H,14-17H2,1H3,(H3-,46,47,48,50,51,52)/p+1

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InChIKey

VVTNDZIJGOAFJM-UHFFFAOYSA-O

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VVTNDZIJGOAFJM-UHFFFAOYSA-O

(Q110080730)

3-[[6-[3-[4,5-Dihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Statements

Identifiers

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