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(Q82997581)
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Yuanhuanin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(3,4-Dihydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
1 reference
based on heuristic
inferred from SMILES
mass
462.116211524
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₂O₁₁
0 references
canonical SMILES
O=C1C=C(OC2=CC(OC)=CC(OC3OC(CO)C(O)C(O)C3O)=C12)C=4C=CC(O)=C(O)C4
0 references
isomeric SMILES
COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C=C(O2)C4=CC(=C(C=C4)O)O
0 references
found in taxon
Daphne feddei
1 reference
stated in
Flavones from Daphne feddei
Daphne pedunculata
1 reference
stated in
Chemical constituents from Daphne pedunculata
Daphne sericea
1 reference
stated in
Flavone 5-O-glucosides from Daphne sericea
Wikstroemia canescens
1 reference
stated in
Phenolic compounds from the aerial parts of Diplomorpha canescens
Daphne esquirolii
1 reference
stated in
Chemical constituents from Daphne pedunculata
Identifiers
InChI
InChI=1S/C22H22O11/c1-30-10-5-15-18(13(26)7-14(31-15)9-2-3-11(24)12(25)4-9)16(6-10)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
0 references
InChIKey
ZXVSQQSRCKKYLS-MIUGBVLSSA-N
0 references
CAS Registry Number
83133-14-6
0 references
PubChem CID
179680
1 reference
matched by identifier from
InChIKey
InChIKey
ZXVSQQSRCKKYLS-MIUGBVLSSA-N
UniChem compound ID
54434347
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501003149
1 reference
matched by identifier from
InChIKey
InChIKey
ZXVSQQSRCKKYLS-MIUGBVLSSA-N
DSSTOX compound identifier
DTXCID101430073
0 references
LIPID MAPS ID
LMPK12111038
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 January 2022
InChIKey
ZXVSQQSRCKKYLS-MIUGBVLSSA-N
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