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ChEBI
> Main
CHEBI:28064 - cyanidin 3-
O
-rutinoside
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ChEBI Name
cyanidin 3-
O
-rutinoside
ChEBI ID
CHEBI:28064
ChEBI ASCII Name
cyanidin 3-O-rutinoside
Definition
A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:23430, CHEBI:3975
Supplier Information
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Formula
C27H31O15
Net Charge
+1
Average Mass
595.52604
Monoisotopic Mass
595.166
InChI
InChI=1S/C27H30O15/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)
/p+1/t9-
,18+,19-
,20+,21+,22-
,23+,24+,26+,27+/m0/s1
InChIKey
USNPULRDBDVJAO-FXCAAIILSA-O
SMILES
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 (
CHEBI:28064
)
has functional parent
cyanidin cation (
CHEBI:27843
)
cyanidin 3-
O
-rutinoside (
CHEBI:28064
)
is a
anthocyanin cation (
CHEBI:35218
)
cyanidin 3-
O
-rutinoside (
CHEBI:28064
)
is a
disaccharide derivative (
CHEBI:63353
)
cyanidin 3-
O
-rutinoside (
CHEBI:28064
)
is a
rutinoside (
CHEBI:26587
)
cyanidin 3-
O
-rutinoside (
CHEBI:28064
)
is conjugate acid of
cyanidin 3-
O
-rutinoside betaine (
CHEBI:58546
)
Incoming
cyanidin 3-
O
-rutinoside chloride (
CHEBI:16726
)
has part
cyanidin 3-
O
-rutinoside (
CHEBI:28064
)
cyanidin 3-
O
-rutinoside betaine (
CHEBI:58546
)
is conjugate base of
cyanidin 3-
O
-rutinoside (
CHEBI:28064
)
IUPAC Name
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxychromenium-
3-
yl 6-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
Synonyms
Sources
Cyanidin 3-O-rhamnosylglucoside
KEGG COMPOUND
Cyanidin 3-O-rutinoside
KEGG COMPOUND
Cyanidin 3-rhamnoglucoside
ChEBI
Database Links
Databases
3975
DrugCentral
Antirrhinin
Wikipedia
C00002376
KNApSAcK
C08620
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1838004
Reaxys Registry Number
Reaxys
Last Modified
22 February 2017