Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63239
- Core Entity Id
- 110257
- Source Entity Count
- 1
- Preferred Name
- C15H10O9S
- Name En
- Pubchem Id
- 14016780
- Smiles Canonical
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O
- Molecular Formula
- C15H10O9S
- Molecular Weight
- 366.3000
- Inchikey
- NTLSJCCPWSJISD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.8000
- Num H Donors
- 4
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 159.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
C15H10O9S
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
C15H10O9S
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22746
Itcmdb Generated
ITX-INGREDIENT-EFF33FCE8747
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredients
Version
v2
Suppress
0