Structure Database (LMSD)

HO O OH H H O HO O OH
Common Name
Gibberellin A8-catabolite
Systematic Name
Synonyms
LM ID
LMPR0104170027
Formula
C19H22O7
Exact Mass
Calculate m/z
362.136555
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Gibberellins [PR010417]

String Representations

InChiKey (Click to copy)
NAOFYNMJUGRAFS-UWSJOQIXSA-N
InChi (Click to copy)
InChI=1S/C19H22O7/c1-8-6-18-7-19(8,26)4-3-10(18)9-5-11(20)14(21)17(2,16(24)25)12(9)13(18)15(22)23/h5,10,12-14,21,26H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t10-,12+,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)[C@@H](O)C(=O)C=1)[C@@H]3C(=O)O

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11870
CHEBI ID
29604
PubChem CID
443463

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 336.15
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 1.33
Molar Refractivity 88.96

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Created at
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Updated at
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