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(Q28529680)
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English
cis-coumarinic acid-beta-D-glucoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
326.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
melilotoside
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₈
0 references
canonical SMILES
O=C(O)C=CC=1C=CC=CC1OC2OC(CO)C(O)C(O)C2O
0 references
isomeric SMILES
OC[C@H]1O[C@@H](Oc2ccccc2\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
0 references
found in taxon
Homo sapiens
1 reference
stated in
Recon 2.2: from reconstruction to model of human metabolism
Dendrobium
1 reference
stated in
High-performance liquid chromatography-diode array detection/electrospray ionization mass spectrometry for the simultaneous analysis of cis-, trans- and dihydro-2-glucosyloxycinnamic acid derivatives from Dendrobium medicinal plants
Identifiers
InChI
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1
0 references
InChIKey
GVRIYIMNJGULCZ-QLFWQTQQSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
5316113
1 reference
matched by identifier from
InChIKey
InChIKey
GVRIYIMNJGULCZ-QLFWQTQQSA-N
ChEBI ID
62251
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1
UniChem compound ID
1067537
1 reference
stated in
UniChem
Cannabis Database ID
005057
1 reference
stated in
Cannabis Database
Human Metabolome Database ID
HMDB0060077
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GVRIYIMNJGULCZ-QLFWQTQQSA-N
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