(Q27114741)

English

pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside

chemical compound

Pelargonidin 3-rutinoside-5-glucopyranoside

In more languages

Statements

type of chemical entity

0 references

flavylium compound

0 references

0 references

741.224204±0 dalton

1 reference

language of work or name

Pelargonidin 3-rutinoside-5-glucopyranoside (English)

6 October 2016

stereoisomer of

(2S,3R,4S,5S,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

Pelargonidin 3-robinobioside-5-glucoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₁O₁₉⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O

1 reference

language of work or name

Pelargonidin 3-rutinoside-5-glucopyranoside (English)

6 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)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)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O

1 reference

language of work or name

Pelargonidin 3-rutinoside-5-glucopyranoside (English)

6 October 2016

Identifiers

InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1

1 reference

language of work or name

Pelargonidin 3-rutinoside-5-glucopyranoside (English)

6 October 2016

YTMOEUVNNYCFEO-WYHZMSGGSA-O

2 references

language of work or name

Pelargonidin 3-rutinoside-5-glucopyranoside (English)

6 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside (English)

6 October 2016

YTMOEUVNNYCFEO-WYHZMSGGSA-O

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=202338-79-2

1 reference

language of work or name

5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (English)

6 October 2016

1 reference

language of work or name

Pelargonidin 3-rutinoside-5-glucopyranoside (English)

6 October 2016

Reaxys registry number

1418244

1 reference

language of work or name

pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside (English)

6 October 2016

mapping relation type

1 reference

language of work or name

pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside (English)

6 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

pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside (English)

6 October 2016

1 reference

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

15 January 2022

YTMOEUVNNYCFEO-WYHZMSGGSA-O

Sitelinks

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Wikiversity(0 entries)

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Multilingual sites(0 entries)

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