Structure Database (LMSD)

Common Name
Gibberellin A29-catabolite
Systematic Name
Synonyms
LM ID
LMPR0104170012
Status
Active
Exact Mass
Calculate m/z
346.14164
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CFYSKMXAQIWPNE-SBECISRQSA-N
InChi (Click to copy)
InChI=1S/C19H22O6/c1-9-6-18-8-19(9,25)4-3-12(18)11-5-10(20)7-17(2,16(23)24)13(11)14(18)15(21)22/h5,12-14,25H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]123[C@@]([H])(CC[C@@](O)(C(=C)C1)C2)C1[C@@]([H])([C@](C)(C(=O)O)CC(=O)C=1)[C@@H]3C(=O)O

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 327.36
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.07
Molar Refractivity 87.06

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Created at
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Updated at
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