Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28794
- Core Entity Id
- 35191
- Source Entity Count
- 1
- Preferred Name
- Oxl
- Name En
- Pubchem Id
- 18676629
- Smiles Canonical
- C(=O)(C(=O)O)O
- Molecular Formula
- C2H2O4
- Molecular Weight
- 90.0340
- Inchikey
- MUBZPKHOEPUJKR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
- Isomeric Smiles
- [H+].[H+].C(=O)(C(=O)[O-])[O-]
- Cas Id
- 144-62-7
- Ob Score
- 29.6780
- Mol Logp
- -3.2888
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
OXL
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
OXL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oxl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oxl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oxl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
04621_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
144-62-7
Role
alias
Source
TCMBank
Preferred
No
Name
194131_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-oxo-2-oxonioacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-oxo-2-oxonioacetate
Role
alias
Source
HERB_v2
Preferred
No
Name
216451-38-6
Role
alias
Source
TCMBank
Preferred
No
Name
241172_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2847-15-6
Role
alias
Source
TCMBank
Preferred
No
Name
319201_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
34285_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
34287_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
35294_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
35295_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
38250_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
38255_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
4-02-00-01819 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
553-91-3 (DILITHIUM)
Role
alias
Source
TCMBank
Preferred
No
Name
63504-28-9
Role
alias
Source
TCMBank
Preferred
No
Name
658537_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
68487_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
75688_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
97993-78-7
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-26463
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-071020
Role
alias
Source
TCMBank
Preferred
No
Name
Acide oxalique
Role
alias
Source
TCMBank
Preferred
No
Name
Acide oxalique [French]
Role
alias
Source
TCMBank
Preferred
No
Name
Acido ossalico
Role
alias
Source
TCMBank
Preferred
No
Name
Acido ossalico [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Acidum oxalicum
Role
alias
Source
TCMBank
Preferred
No
Name
Aktisal
Role
alias
Source
TCMBank
Preferred
No
Name
Aquisal
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0385686
Role
alias
Source
TCMBank
Preferred
No
Name
C00209
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 1454
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16995
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 625
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 205-634-3
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 009601
Role
alias
Source
TCMBank
Preferred
No
Name
Ethandisaeure
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanedioic acid (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanedionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
H2ox
Role
alias
Source
TCMBank
Preferred
No
Name
HOOCCOOH
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 1100
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina stavelova
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina stavelova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01170031
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C55209
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_000770
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_001022
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_001042
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_001202
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_008831
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 62774
Role
alias
Source
TCMBank
Preferred
No
Name
NSC115893 (DILITHIUM)
Role
alias
Source
TCMBank
Preferred
No
Name
OXD
Role
alias
Source
TCMBank
Preferred
No
Name
Oxaalzuur
Role
alias
Source
TCMBank
Preferred
No
Name
Oxaalzuur [Dutch]
Role
alias
Source
TCMBank
Preferred
No
Name
Oxagel
Role
alias
Source
TCMBank
Preferred
No
Name
Oxalate standard for IC
Role
alias
Source
TCMBank
Preferred
No
Name
Oxalic acid (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Oxalic acid solution
Role
alias
Source
TCMBank
Preferred
No
Name
Oxalic acid standard solution
Role
alias
Source
TCMBank
Preferred
No
Name
Oxalsaeure
Role
alias
Source
TCMBank
Preferred
No
Name
Oxalsaeure [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Oxiric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Ultraplast Activate S 52
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QVVQ
Role
alias
Source
TCMBank
Preferred
No
Name
ethane-1,2-dioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
ethanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
hydron
Role
alias
Source
HERB_v2
Preferred
No
Name
hydron
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxalate
Role
alias
Source
HERB_v2
Preferred
No
Name
oxalate
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxalic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
04621_FLUKA144-62-7194131_ALDRICH2-oxo-2-oxonioacetate216451-38-6241172_ALDRICH2847-15-6319201_ALDRICH34285_RIEDEL34287_RIEDEL35294_RIEDEL35295_RIEDEL38250_RIEDEL38255_RIEDEL4-02-00-01819 (Beilstein Handbook Reference)553-91-3 (DILITHIUM)63504-28-9658537_ALDRICH68487_FLUKA75688_FLUKA97993-78-7AI3-26463AIDS-071020Acide oxaliqueAcide oxalique [French]Acido ossalicoAcido ossalico [Italian]Acidum oxalicumAktisalAquisalBRN 0385686C00209CCRIS 1454CHEBI:16995Caswell No. 625EINECS 205-634-3EPA Pesticide Chemical Code 009601EthandisaeureEthanedioic acid (9CI)Ethanedionic acidH2oxHOOCCOOHHSDB 1100InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6Kyselina stavelovaKyselina stavelova [Czech]LMFA01170031NCI-C55209NCIOpen2_000770NCIOpen2_001022NCIOpen2_001042NCIOpen2_001202NCIOpen2_008831NSC 62774NSC115893 (DILITHIUM)OXDOxaalzuurOxaalzuur [Dutch]OxagelOxalate standard for ICOxalic acid (8CI)Oxalic acid solutionOxalic acid standard solutionOxalsaeureOxalsaeure [German]Oxiric acidUltraplast Activate S 52WLN: QVVQethane-1,2-dioic acidethanedioic acidhydronoxalateoxalic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
144-62-7
Herb
HBIN038445
Tcmsp
MOL001880
Sym Map
SMIT04229
Pub Chem
18676629
Tcmbank
TCMBANKIN057917
Etcm Ingredient
OXL
Itcmdb Generated
ITX-INGREDIENT-1AC6A02ECB10ITX-INGREDIENT-65FDC2C008E6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Mol Wt
90.03399999999999
Cas Id
144-62-7
Smiles
C(=O)(C(=O)O)O
Mol Log P
-3.2888
Version
v1,v2
In Ch Ikey
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Ob Score
29.67829.6783669329.678367
Suppress
0
Num Hdonors
0
Drug Likeness
0.292
Num Hacceptors
4
Isomeric Smiles
[H+].[H+].C(=O)(C(=O)[O-])[O-]
Molecule Weight
90.04
Canonical Smiles
[H+].[H+].C(=O)(C(=O)[O-])[O-]
Herb Alias Names
hydronoxalate2-oxo-2-oxonioacetate
Molecular Weight
90.000
Molecular Weight
90.03 g/mol
Molecular Formula
C2H2O4
Molecular Formula
C2H2O4
Molecular Formula
C2H2O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.287