IngredientID 26494

Minerals

AlNaO8Si3

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Herb: 12Ingredient: 1Links: 12
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
26494
Core Entity Id
32637
Source Entity Count
1
Preferred Name
Minerals
Name En
Pubchem Id
92043514
Smiles Canonical
[O-][Si](=O)O[Si](=O)O[Si](=O)O[Al]=O.[Na+]
Molecular Formula
AlNaO8Si3
Molecular Weight
262.2220
Inchikey
KAXHULZGFGOPEM-UHFFFAOYSA-N
Inchi
InChI=1S/Al.Na.O7Si3.O/c;;1-8(2)6-10(5)7-9(3)4;/q2*+1;-2;
Isomeric Smiles
[O-][Si](=O)O[Si](=O)O[Si](=O)O[Al]=O.[Na+]
Cas Id
Ob Score
Mol Logp
-6.3886
Num H Donors
0
Num H Acceptors
8
Num Rotatable Bonds
6
Drug Likeness
0.4330
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Minerals
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Minerals
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Minerals
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Minerals
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
minerals
Role
preferred
Source
TCMBank
Preferred
Yes
Name
68476-25-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
68476-25-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Feldspar
Role
alias
Source
itcmdb_public
Preferred
No
Name
Feldspar
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

68476-25-5Feldspar

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN035562
Tcmid
24744
Sym Map
SMIT25458
Pub Chem
92043514
Tcmbank
TCMBANKIN019873
Itcmdb Generated
ITX-INGREDIENT-0E1D9239752B

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/Al.Na.O7Si3.O/c;;1-8(2)6-10(5)7-9(3)4;/q2*+1;-2;
Mol Wt
262.222
Smiles
[O-][Si](=O)O[Si](=O)O[Si](=O)O[Al]=O.[Na+]
Mol Log P
-6.388599999999999
Version
v2
In Ch Ikey
KAXHULZGFGOPEM-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.433
Num Hacceptors
8
Isomeric Smiles
[O-][Si](=O)O[Si](=O)O[Si](=O)O[Al]=O.[Na+]
Canonical Smiles
[O-][Si](=O)O[Si](=O)O[Si](=O)O[Al]=O.[Na+]
Herb Alias Names
Feldspar68476-25-5
Molecular Formula
AlNaO8Si3
Molecular Formula
AlNaO8Si3
Num Rotatable Bonds
6