Structure Database (LMSD)

O HO O H H O HO OH
Common Name
Gibberellin A34-catabolite
Systematic Name
Synonyms
LM ID
LMPR0104170026
Formula
C19H22O6
Exact Mass
Calculate m/z
346.14164
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)
ZHUFJGRQVHLFRM-ONBGMUNTSA-N
InChi (Click to copy)
InChI=1S/C19H22O6/c1-8-6-19-7-9(8)3-4-11(19)10-5-12(20)15(21)18(2,17(24)25)13(10)14(19)16(22)23/h5,9,11,13-15,21H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t9-,11+,13-,14-,15+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]123CC([C@H](CC[C@@]1([H])C1[C@@]([H])([C@](C)(C(=O)O)[C@@H](O)C(=O)C=1)[C@@H]2C(=O)O)C3)=C

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11869
CHEBI ID
29594
PubChem CID
443462

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 1.93
Molar Refractivity 86.99

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Created at
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Updated at
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