Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23604
- Core Entity Id
- 29422
- Source Entity Count
- 1
- Preferred Name
- Keto-l-fructose
- Name En
- Pubchem Id
- 5460024
- Smiles Canonical
- C(C(C(C(C(=O)CO)O)O)O)O
- Molecular Formula
- C6H12O6
- Molecular Weight
- 180.1560
- Inchikey
- BJHIKXHVCXFQLS-FUTKDDECSA-N
- Inchi
- InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m0/s1
- Isomeric Smiles
- C([C@@H]([C@@H]([C@H](C(=O)CO)O)O)O)O
- Cas Id
- 7776-48-9
- Ob Score
- 49.6718
- Mol Logp
- -3.3772
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Keto-L-Fructose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Keto-l-fructose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Keto-l-fructose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
keto-L-fructose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7776-48-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
7776-48-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Fructose, L-
Role
alias
Source
HERB_v2
Preferred
No
Name
Fructose, L-
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Arabino-2-hexulose
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Arabino-2-hexulose
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Fructose
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Fructose
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD05662378
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD05662378
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-ZJ8X2IF6RJ
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-ZJ8X2IF6RJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZJ8X2IF6RJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZJ8X2IF6RJ
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one7776-48-9Fructose, L-L-Arabino-2-hexuloseL-FructoseMFCD05662378UNII-ZJ8X2IF6RJZJ8X2IF6RJ
Cross References
Trusted external identifiers retained for this final record.
Cas
7776-48-9
Herb
HBIN032137
Tcmsp
MOL004048
Sym Map
SMIT06032
Pub Chem
5460024
Etcm Ingredient
keto-L-fructose
Itcmdb Generated
ITX-INGREDIENT-D4699E59D924
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m0/s1
Mol Wt
180.156
Cas Id
7776-48-9
Mol Log P
-3.377199999999999
Version
v1,v2
In Ch Ikey
BJHIKXHVCXFQLS-FUTKDDECSA-N
Ob Score
49.6718116449.672
Suppress
0
Num Hdonors
5
Drug Likeness
0.301
Num Hacceptors
6
Isomeric Smiles
C([C@@H]([C@@H]([C@H](C(=O)CO)O)O)O)O
Molecule Weight
180.18
Canonical Smiles
C(C(C(C(C(=O)CO)O)O)O)O
Herb Alias Names
L-Fructose7776-48-9L-(+)-Fructose(3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-oneFructose, L-L-Arabino-2-hexuloseUNII-ZJ8X2IF6RJZJ8X2IF6RJMFCD05662378
Molecular Weight
180.060
Molecular Formula
C6H12O6
Molecular Formula
C6H12O6
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.301