Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63139
- Core Entity Id
- 110157
- Source Entity Count
- 1
- Preferred Name
- Anhydrous Rutin
- Name En
- Pubchem Id
- 102601004
- Smiles Canonical
- CC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C.O.O.O
- Molecular Formula
- C27H20O12|C27H30O16
- Molecular Weight
- 324.5000
- Inchikey
- HKPSXNGFSBKXJY-ZZVHNJBTSA-N
- Inchi
- InChI=1S/C20H30.3H2O/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6;;;/h7-8,10-11,13-14H,9,12,15H2,1-6H3;3*1H2/b10-8+,14-13+,16-7-,17-11-;;;
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0638
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 3.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anhydrous Rutin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Anhydrous Rutin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22352
Pub Chem
102601004
Itcmdb Generated
ITX-INGREDIENT-8296190A4D55
Attributes
Merged source attributes and domain-specific metadata.
Type
QC ingredients
Version
v2
Suppress
0
Molecule Formula
C27H20O12|C27H30O16