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
- 1738
- Core Entity Id
- 5121
- Source Entity Count
- 1
- Preferred Name
- 2-c-methyl-d-erythritol 1-o-beta-d-fructofuranoside
- Name En
- Pubchem Id
- 6325656
- Smiles Canonical
- CC(COC1(C(C(C(O1)CO)O)O)CO)(C(CO)O)O
- Molecular Formula
- C11H22O9
- Molecular Weight
- 298.2880
- Inchikey
- RROOHAHINGDEJR-UPMLMMEUSA-N
- Inchi
- InChI=1S/C11H22O9/c1-10(18,7(15)3-13)5-19-11(4-14)9(17)8(16)6(2-12)20-11/h6-9,12-18H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-/m1/s1
- Isomeric Smiles
- C[C@](CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)([C@@H](CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- -4.0913
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-C-Methyl-D-erythritol 1-O--beta-D-fructofuranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-c-methyl-d-erythritol 1-o-beta-d-fructofuranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-c-methyl-d-erythritol 1-o-beta-d-fructofuranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2-C-Methyl-D-erythritol 1-O--beta-D-fructofuranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005466
Tcmid
1441314416
Pub Chem
6325656
Etcm Ingredient
2-C-Methyl-D-erythritol 1-O--beta-D-fructofuranoside
Itcmdb Generated
ITX-INGREDIENT-5A59C3436738
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H22O9/c1-10(18,7(15)3-13)5-19-11(4-14)9(17)8(16)6(2-12)20-11/h6-9,12-18H,2-5H2,1H3/t6-,7-,8-,9+,10+,11-/m1/s1
Mol Wt
298.288
Mol Log P
-4.091299999999997
In Ch Ikey
RROOHAHINGDEJR-UPMLMMEUSA-N
Num Hdonors
7
Drug Likeness
0.248
Num Hacceptors
9
Isomeric Smiles
C[C@](CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)([C@@H](CO)O)O
Canonical Smiles
CC(COC1(C(C(C(O1)CO)O)O)CO)(C(CO)O)O
Molecular Weight
298.130
Molecular Formula
C11H22O9
Molecular Formula
C11H22O9
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.248