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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione , (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione , (3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-4-oxidanyl-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione , (3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylene-9-methylol-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-quinone
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| Smiles: |
OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O
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| InChi : |
InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12+,13-,14-/m0/s1
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| InChi Key : |
InChIKey=VJQAFLAZRVKAKM-VZLIPTOUSA-N
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| PubChem ID : |
442266
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| Rotatable bond count : |
1
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
10.139243
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
4.467
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| XLogP : |
-1.54
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VDW volume : |
261.695692
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| Molecular weight : |
276.099774
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HOMO-LUMO gap : |
9.495000
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| Herb list : |
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| Refrences & Litretures: |
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