Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 7Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7041
- Core Entity Id
- 11007
- Source Entity Count
- 1
- Preferred Name
- Sumiki's acid
- Name En
- Pubchem Id
- 6430475
- Smiles Canonical
- C1=C(OC(=C1)C(=O)O)CO
- Molecular Formula
- C6H6O4
- Molecular Weight
- 142.1100
- Inchikey
- HYDLFRRTORFTFZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
- Isomeric Smiles
- C1=C(OC(=C1)C(=O)O)CO
- Cas Id
- 6338-41-6
- Ob Score
- 52.4397
- Mol Logp
- 0.4701
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Hydroxymethyl-2-Furoic Acid, Monotms
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5-Hydroxymethyl-2-Furoic Acid, Monotms
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-Hydroxymethyl-2-furoic acid, monoTMS
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxymethyl-2-furoic acid,monotms
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-hydroxymethyl-2-furoic acid,monotms
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sumiki'S Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sumiki's acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sumiki's acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sumiki's acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Furancarboxylic acid, 5-(hydroxymethyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Furancarboxylic acid, 5-(hydroxymethyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Furancarboxylic acid, 5-(hydroxymethyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Furancarboxylic acid, 5-(hydroxymethyl)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Furoic acid, 5-(hydroxymethyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Furoic acid, 5-(hydroxymethyl)- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
5-(hydroxymethyl)-2-furancarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
5-(hydroxymethyl)-2-furancarboxylic acid trimethylsilyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
5-(hydroxymethyl)furan-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
5-(hydroxymethyl)furan-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxymethyl-2-furancarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxymethyl-2-furancarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxymethyl-2-furoate
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxymethyl-2-furoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxymethyl-2-furoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
5-Hydroxymethyl-2-furoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxymethyl-2-furoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxymethyl-2-furoic acid, monoTMS
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxymethyl-2-furoic acid, monoTMS
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxymethyl-furan-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-methylol-2-furoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
5-methylolfuran-2-carboxylic acid trimethylsilyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
6338-41-6
Role
alias
Source
HERB_v2
Preferred
No
Name
6338-41-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
6338-41-6
Role
alias
Source
TCMBank
Preferred
No
Name
BAS 00404252
Role
alias
Source
TCMBank
Preferred
No
Name
EC-000.1550
Role
alias
Source
TCMBank
Preferred
No
Name
HYDLFRRTORFTFZ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
HYDLFRRTORFTFZ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091546-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 40739
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_060549
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_518608
Role
alias
Source
TCMBank
Preferred
No
Name
ST5227816
Role
alias
Source
TCMBank
Preferred
No
Name
trimethylsilyl 5-(hydroxymethyl)furan-2-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-Hydroxymethyl-2-Furoic Acid, Monotms5-hydroxymethyl-2-furoic acid,monotms2-Furancarboxylic acid, 5-(hydroxymethyl)-2-Furancarboxylic acid, 5-(hydroxymethyl)- (9CI)2-Furoic acid, 5-(hydroxymethyl)-2-Furoic acid, 5-(hydroxymethyl)- (8CI)5-(hydroxymethyl)-2-furancarboxylic acid5-(hydroxymethyl)-2-furancarboxylic acid trimethylsilyl ester5-(hydroxymethyl)furan-2-carboxylic acid5-Hydroxymethyl-2-furancarboxylic acid5-Hydroxymethyl-2-furoate5-Hydroxymethyl-2-furoic acid5-Hydroxymethyl-furan-2-carboxylic acid5-methylol-2-furoic acid5-methylolfuran-2-carboxylic acid trimethylsilyl ester6338-41-6BAS 00404252EC-000.1550HYDLFRRTORFTFZ-UHFFFAOYSA-NInChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9NCGC00091546-01NSC 40739Oprea1_060549Oprea1_518608ST5227816trimethylsilyl 5-(hydroxymethyl)furan-2-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Cas
6338-41-6
Herb
HBIN011698HBIN011701HBIN045146
Npass
NPC244293
Tcmid
38100
Tcmsp
MOL001768MOL011317
Sym Map
SMIT04133SMIT12239
Tcm Id
7663
Pub Chem
643047580642
Tcmbank
TCMBANKIN009290TCMBANKIN058093
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)InChI=1S/C9H14O4Si/c1-14(2,3)13-9(11)8-5-4-7(6-10)12-8/h4-5,10H,6H2,1-3H3
Mol Wt
142.11214.293
Cas Id
6338-41-6
Smiles
C1=C(OC(=C1)C(=O)O)COC[Si](C)(C)OC(=O)C1=CC=C(O1)CO
Mol Log P
0.47011.7636
Version
v1,v2
In Ch Ikey
HYDLFRRTORFTFZ-UHFFFAOYSA-NPCSKKIUURRTAEM-UHFFFAOYSA-N
Ob Score
52.43967652.4396760352.4453.63653.6364468253.636447
Suppress
0
Num Hdonors
12
Drug Likeness
0.6290.779
Num Hacceptors
34
Isomeric Smiles
C1=C(OC(=C1)C(=O)O)COC[Si](C)(C)OC(=O)C1=CC=C(O1)CO
Molecule Weight
142.12214.32
Canonical Smiles
C1=C(OC(=C1)C(=O)O)COC[Si](C)(C)OC(=O)C1=CC=C(O1)CO
Herb Alias Names
5-Hydroxymethyl-2-furoic acid, monoTMSHYDLFRRTORFTFZ-UHFFFAOYSA-N
Molecular Weight
142.11
Molecular Formula
C6H6O4
Molecular Formula
C6H6O4C9H14O4Si
Num Rotatable Bonds
23