(Q105223505)

English

[(2R,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[(3R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate

1 reference

based on heuristic

inferred from SMILES

[2,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate

1 reference

based on heuristic

inferred from SMILES

mass

784.075922408 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₄O₂₂

0 references

canonical SMILES

O=C1OC=2C(O)=C(OC3=C(O)C(O)=C(O)C=C3C(=O)OC4C(O)C(OC(O)C4OC(=O)C5=CC(O)=C(O)C(O)=C5)CO)C=C6C(=O)OC7=C(O)C(O)=CC1=C7C26

0 references

isomeric SMILES

O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1

0 references

found in taxon

Epilobium hirsutum

1 reference

stated in

Polyphenolic metabolites of Epilobium hirsutum

Identifiers

InChI

InChI=1S/C34H24O22/c35-6-16-23(44)28(29(34(50)52-16)56-30(46)7-1-11(36)19(40)12(37)2-7)55-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34-/m1/s1

0 references

InChIKey

QLDUHPWCLDKEEA-FEGNPHFYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105223505)

[(2R,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)