Structure Database (LMSD)

Common Name
Ginkgolide M
Systematic Name
Synonyms
LM ID
LMPR01040144
Formula
C20H24O10
Exact Mass
Calculate m/z
424.13695
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Structure and absolute configuration of ginkgolide B characterized by IR- and VCD spectroscopy.,
Chirality, 2010
Pubmed ID: 19455619

String Representations

InChiKey (Click to copy)
KDKROYXEHCYLJQ-DYXVGVPESA-N
InChi (Click to copy)
InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12+,16-,18?,19?,20+/m0/s1
SMILES (Click to copy)
C123[C@@H](O)[C@@]4([H])[C@]([H])([C@H](C)C(O4)=O)[C@]41C(O[C@]2([H])[C@@H]([C@@H](C(C)(C)C)C13[C@@H](O)C(O[C@H]1O4)=O)O)=O

Other Databases

KEGG ID
C16816
CHEBI ID
80750
PubChem CID
126843440

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 6
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 360.38
Topological Polar Surface Area 157.10
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 0.49
Molar Refractivity 95.53

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Created at
11th May 2021
Updated at
30th Oct 2025