Structure Database (LMSD)

Common Name
Helilandin A
Systematic Name
Synonyms
LM ID
LMPK12120342
Formula
C18H16O5
Exact Mass
Calculate m/z
312.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
DHXRBYXDMHSYAN-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-20-14-10-15-17(23-11-22-15)18(21-2)16(14)13(19)9-8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+
SMILES (Click to copy)
C12OCOC1=C(OC)C(C(=O)/C=C/C1C=CC=CC=1)=C(OC)C=2

Other Databases

METABOLOMICS ID
FL1CE9NS0007
PubChem CID
42607629

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 283.91
Topological Polar Surface Area 58.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.33
Molar Refractivity 85.48

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Updated at
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