IngredientID 2840
(2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid
C16H24N2O5
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2840
- Core Entity Id
- 6345
- Source Entity Count
- 1
- Preferred Name
- (2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C16H24N2O5
- Molecular Weight
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-6-Amino-2-[(3Ar*,4S*,7R*,7As*)-3A,7A-Dimethyl-1,3-Dioxo-4,7-Epoxyoctahydroisoindol-2-Yl]-Hexanoicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S)-6-Amino-2-[(3aR*,4S*,7R*,7aS*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoic Acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
斑蝥
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAN MAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Blister Beetle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-6-Amino-2-[(3aR*,4S*,7R*,7aS*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoic Acid斑蝥BAN MAOBlister Beetle
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006774
Tcmid
1050
Sym Map
SMIT19782
Tcmbank
TCMBANKIN017153
Itcmdb Generated
ITX-INGREDIENT-18C54FC6DF95ITX-INGREDIENT-278C66E72583
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
斑蝥
Tcm Name2
BAN MAO
Mol2 Path
/TCM_database/2007_3d_all/01050.mol2
Reference
4052
Tcm Name En
Blister Beetle
Molecular Formula
C16H24N2O5