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Structure
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| Relationships |
Total Number of functionally related protein(s) :
276
Total Number of Articles : 269
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| PubChem |
2236
|
| Molecular Formula |
C17H11NO7 |
| SMILES |
COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O |
| InChI |
InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) |
| synonyms |
- Aristolochic acid
- Aristolochic acid A
- 313-67-7
- Aristolochic acid I
- Tardolyt
- Aristolochin
- Aristolochic acid-I
- Birthwort
- ARISTOLOCHINE
- TR 1736
- Aristolochiazaeure
- NSC-50413
- Aristolochic acid 1
- 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
- CCRIS 1544
- NSC11926
- EINECS 206-238-3
- 3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid
- NSC 11926
- NSC 50413
- UNII-94218WFP5T
- BRN 0345159
- CHEBI:2825
- ARISTOLOCHIA A
- 8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid
- 94218WFP5T
- NSC50413
- NSC-11926
- 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid
- Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
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| Properties |
| Property |
Value |
| MW |
341.27 g/mol |
| HBD |
1 |
| HBA |
7 |
| Rotatable Bond Count |
2 |
| Exact Mass |
341.05355169 g/mol |
| Monoisotopic Mass |
341.05355169 g/mol |
| Heavy Atom Count |
25 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
550 |
| xlogp |
3.6 |
| Topological Polar Surface Area |
111 |
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