(Q27107295)

English

Malonylawobanin

chemical compound

In more languages

Statements

type of chemical entity

0 references

flavylium compound

0 references

0 references

859.193298±0 dalton

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

stereoisomer of

3-oxo-3-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-oxo-3-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₃₉O₂₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

Hyacinthoides non-scripta

1 reference

Identification of malonated anthocyanins in the liliaceae and labiatae

Identifiers

InChI=1S/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/t25-,26-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

LXITVYYZHYMDFB-AWJFVBHYSA-O

2 references

language of work or name

Malonylawobanin (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

1 reference

language of work or name

7-Hydroxy-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-2-(3,4,5-trihydroxyphenyl)-5-chromeniumyl 6-O-(carboxyacetyl)-beta-D-glucopyranoside (English)

5 October 2016

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

mapping relation type

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

1 reference

language of work or name

Malonylawobanin (English)

5 October 2016

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

15 January 2022

LXITVYYZHYMDFB-AWJFVBHYSA-O

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)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q27107295&oldid=2129470272"