Structure Database (LMSD)

Common Name
Gibberellin A7
Systematic Name
Synonyms
LM ID
LMPR0104170024
Formula
C19H22O5
Exact Mass
Calculate m/z
330.146725
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
SEEGHKWOBVVBTQ-NFMPGMCNSA-N
InChi (Click to copy)
InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
SMILES (Click to copy)

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11867
CHEBI ID
32903
PubChem CID
443460

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 308.85
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.48
Molar Refractivity 84.74

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Created at
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Updated at
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