Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q82234478)
Watch
English
CHEMBL3185998
chemical compound
In more languages
edit
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
374.1212969039999
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
geniposidic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4aR,7aR)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4aR,7aR)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₂O₁₀
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
0 references
Identifiers
InChI
InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11+,12-,13-,15+,16+/m1/s1
0 references
InChIKey
ZJDOESGVOWAULF-LQCAFONGSA-N
0 references
CAS Registry Number
27932-72-5
0 references
PubChem CID
12087362
1 reference
matched by identifier from
InChIKey
InChIKey
ZJDOESGVOWAULF-LQCAFONGSA-N
UniChem compound ID
147693220
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20422523
1 reference
matched by identifier from
InChIKey
InChIKey
ZJDOESGVOWAULF-LQCAFONGSA-N
DSSTOX compound identifier
DTXCID40373366
0 references
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
