Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33257
- Core Entity Id
- 40158
- Source Entity Count
- 1
- Preferred Name
- Shionoside b
- Name En
- Pubchem Id
- 14036541
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C4CCC(C4)C3(C)C)O)O)O)O)O)O
- Molecular Formula
- C19H30O9
- Molecular Weight
- 402.4900
- Inchikey
- AEOXKDYZLWKANW-USDJNKPWSA-N
- Inchi
- InChI=1S/C22H38O10/c1-9-14(23)16(25)18(27)20(31-9)30-8-13-15(24)17(26)19(28)21(32-13)29-7-12-10-4-5-11(6-10)22(12,2)3/h9-21,23-28H,4-8H2,1-3H3/t9-,10+,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 6.9859
- Mol Logp
- -0.6000
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 158.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Shionoside B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Shionoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Shionoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Shionoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
shionoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
紫菀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI WAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tatarion Aster
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
shionoside b
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
紫菀ZI WANTatarion Aster
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043922
Tcmid
19817
Tcmsp
MOL010476
Sym Map
SMIT11523SMIT17704
Tcm Id
23899
Tcmbank
TCMBANKIN044523
Etcm Ingredient
shionoside B
Itcmdb Generated
ITX-INGREDIENT-C1FC13CED158
Attributes
Merged source attributes and domain-specific metadata.
Version
v1,v2
Ob Score
6.9859266.9859263066.986
Suppress
1
Tcm Name
紫菀
Tcm Name2
ZI WAN
Mol2 Path
/TCM_database/2007_3d_all/19832.mol2
Reference
660
Tcm Name En
Tatarion Aster
Molecule Weight
402.49
Molecular Weight
402.190
Molecular Weight
402.49
Molecular Formula
C19H30O9
Link Ingredient Id
11523.0
Fda Maximum Daily Dose (Fdamdd)
0.020
Quantitative Estimate Of Drug Likeness（Qed）
0.352