Structure Database (LMSD)

Common Name
Ambonane
Systematic Name
Synonyms
LM ID
LMPK12070038
Formula
C19H16O5
Exact Mass
Calculate m/z
324.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HHWQSUBEFRHIGU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H16O5/c1-20-14-4-3-11-13-9-23-16-8-15-10(5-6-22-15)7-12(16)17(13)24-18(11)19(14)21-2/h3-8,13,17H,9H2,1-2H3
SMILES (Click to copy)
C12OC=CC1=CC1C3OC4=C(OC)C(OC)=CC=C4C3COC=1C=2

Other Databases

CHEBI ID
185939
METABOLOMICS ID
FLID1CNF0002
PubChem CID
44257445

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 279.13
Topological Polar Surface Area 52.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.96
Molar Refractivity 87.75

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Updated at
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