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ChEBI
> Main
CHEBI:16726 - cyanidin 3-
O
-rutinoside chloride
Main
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ChEBI Name
cyanidin 3-
O
-rutinoside chloride
ChEBI ID
CHEBI:16726
ChEBI ASCII Name
cyanidin 3-O-rutinoside chloride
Definition
A member of the class of anthocyanin chlorides that has cyanidin 3-
O
-rutinoside as the cationic counterpart.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3976, CHEBI:14039, CHEBI:23431
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Formula
C27H31ClO15
Net Charge
0
Average Mass
630.97900
Monoisotopic Mass
630.13515
InChI
InChI=1S/C27H30O15.ClH/c1-
9-
19(32)
21(34)
23(36)
26(39-
9)
38-
8-
18-
20(33)
22(35)
24(37)
27(42-
18)
41-
17-
7-
12-
14(30)
5-
11(28)
6-
16(12)
40-
25(17)
10-
2-
3-
13(29)
15(31)
4-
10;/h2-
7,9,18-
24,26-
27,32-
37H,8H2,1H3,(H3-
,28,29,30,31)
;1H/t9-
,18+,19-
,20+,21+,22-
,23+,24+,26+,27+;/m0./s1
InChIKey
ADZHXBNWNZIHIX-XYGAWYNKSA-N
SMILES
[Cl-
]
.C[C@@H]
1O[C@@H]
(OC[C@H]
2O[C@@H]
(Oc3cc4c(O)
cc(O)
cc4[o+]
c3-
c3ccc(O)
c(O)
c3)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
2O)
[C@H]
(O)
[C@H]
(O)
[C@H]
1O
ChEBI Ontology
Outgoing
cyanidin 3-
O
-rutinoside chloride (
CHEBI:16726
)
has part
cyanidin 3-
O
-rutinoside (
CHEBI:28064
)
cyanidin 3-
O
-rutinoside chloride (
CHEBI:16726
)
is a
anthocyanin chlorides (
CHEBI:38698
)
IUPAC Name
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxychromenium-
3-
yl 6-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside chloride
Synonyms
Sources
Antirrhinin
ChemIDplus
Cyanidin 3-rutinoside
KEGG COMPOUND
Cyanidin-3-rhamnoglucoside chloride
ChemIDplus
Cyanidin-3-rhamnoglucoside chloride
KEGG COMPOUND
Keracyanin
KEGG COMPOUND
Prunicyanin
ChemIDplus
Sambucin
ChemIDplus
Manual Xrefs
Databases
C00002376
KNApSAcK
C04491
KEGG COMPOUND
D08097
KEGG DRUG
View more database links
Registry Number
Type
Source
18719-76-1
CAS Registry Number
ChemIDplus
Last Modified
05 March 2018