Structure Database (LMSD)

Common Name
Prosogerin D
Systematic Name
Synonyms
LM ID
LMPK12110070
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PCRJTYUZBUQMQK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-16-7-11-12(20)8-14(26-15(11)9-13(16)21)10-5-17(23-2)19(25-4)18(6-10)24-3/h5-9,21H,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C=C1OC

Other Databases

METABOLOMICS ID
FL3F2GNS0002
PubChem CID
44257587

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.10
Molar Refractivity 95.90

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Updated at
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