01
净化花椰菜
Jing Hua Hua Ye Cai / Brassica Oleracea Var. Botrytis Subvar. Cauliflora
Jing Hua Hua Ye CaiBrassica Oleracea Var. Botrytis Subvar. Cauliflora
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Neoglucobrassicin
- Molecular Formula
- C17H22N2O10S2
- Molecular Weight
- No data
- Canonical SMILES
- CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O
- Isomeric SMILES
- CON1C=C(C2=CC=CC=C21)C/C(=N/OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- InChI
- InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.141
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
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楮实子
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08