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(Q83042437)
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Danshenol B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-11-one
1 reference
based on heuristic
inferred from SMILES
mass
354.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₆O₄
0 references
canonical SMILES
O=C1C2=C(OCC2C)C=3C=CC4=C(C3C1(O)CC(=O)C)CCCC4(C)C
0 references
isomeric SMILES
C[C@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O
0 references
found in taxon
Salvia miltiorrhiza
2 references
stated in
Aldose reductase inhibitory constituents of the root of Salvia miltiorhiza Bunge
stated in
Danshenols A and B, New Aldose Reductase Inhibitors from the Root of Salvia miltiorhiza BUNGE.
Identifiers
InChI
InChI=1S/C22H26O4/c1-12-11-26-19-15-7-8-16-14(6-5-9-21(16,3)4)18(15)22(25,10-13(2)23)20(24)17(12)19/h7-8,12,25H,5-6,9-11H2,1-4H3/t12-,22-/m0/s1
0 references
InChIKey
KZLPKGGMSDHTRS-YTEVENLXSA-N
0 references
CAS Registry Number
189308-09-6
0 references
PubChem CID
3083515
1 reference
matched by identifier from
InChIKey
InChIKey
KZLPKGGMSDHTRS-YTEVENLXSA-N
UniChem compound ID
32042785
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80172335
1 reference
matched by identifier from
InChIKey
InChIKey
KZLPKGGMSDHTRS-YTEVENLXSA-N
DSSTOX compound identifier
DTXCID9094826
0 references
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