Structure Database (LMSD)

O OH OH OH O
Common Name
Dihydrocalythropsin
Systematic Name
Synonyms
LM ID
LMPK12120459
Formula
C16H16O5
Exact Mass
Calculate m/z
288.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
DLFRZAUWKODFLD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H16O5/c1-21-11-4-5-12(15(19)9-11)13(17)6-2-10-3-7-14(18)16(20)8-10/h3-5,7-9,18-20H,2,6H2,1H3
SMILES (Click to copy)
C1(OC)C=CC(C(=O)CCC2C=CC(O)=C(O)C=2)=C(O)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1D1CNS0002
PubChem CID
192550

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 264.31
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.63
Molar Refractivity 77.08

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Updated at
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