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(Q105288845)
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English
Nepetaracemoside B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,7-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-cyclopenta[c]pyran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
342.131467664
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₈
0 references
canonical SMILES
O=C1OC=C(C2=C1C(C)CC2OC3OC(CO)C(O)C(O)C3O)C
0 references
isomeric SMILES
Cc1coc(=O)c2c1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]2C
0 references
found in taxon
Nepeta racemosa
2 references
stated in
Nepetaracemosides A and B, Iridoid Glucosides from Nepeta racemosa.
stated in
Nepetaracemosides A and B, Iridoid Glucosides from Nepeta racemosa.
Identifiers
InChI
InChI=1S/C16H22O8/c1-6-3-8(10-7(2)5-22-15(21)11(6)10)23-16-14(20)13(19)12(18)9(4-17)24-16/h5-6,8-9,12-14,16-20H,3-4H2,1-2H3/t6-,8+,9+,12+,13-,14+,16+/m0/s1
0 references
InChIKey
VLYVYBNJXMTERV-UDJIVENISA-N
0 references
PubChem CID
10617255
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VLYVYBNJXMTERV-UDJIVENISA-N
UniChem compound ID
33077123
1 reference
stated in
UniChem
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