Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q106010175)
Watch
English
petunidin 3-(6''-acetylglucoside)
chemical compound
3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-7-yl beta-D-glucopyranoside
In more languages
edit
Statements
instance of
type of chemical entity
0 references
subclass of
ion
0 references
anthocyanidin
0 references
mass
521.1289672800898
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Petunidin 3-(6-O-acetylglucoside)
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₅O₁₃⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC(C)=O)C(O)C(O)C2O)cc(O)c1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(COC(C)=O)[C@@H](O)C(O)C2O)cc(O)c1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18?,20-,21?,22?,24-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
GPUBWXUQPURXOQ-FUQWYEMFSA-O
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
44256961
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
147427
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18?,20-,21?,22?,24-/m1/s1
UniChem compound ID
42508831
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12010356
1 reference
InChIKey
GPUBWXUQPURXOQ-FUQWYEMFSA-O
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
Sitelinks
Wikipedia
(0 entries)
edit
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit