Structure Database (LMSD)

O O O O
Common Name
Tephrowatsin D
Systematic Name
Synonyms
LM ID
LMPK12020280
Formula
C23H28O4
Exact Mass
Calculate m/z
368.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

String Representations

InChiKey (Click to copy)
FNZKAXPXZXWCFJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H28O4/c1-16(2)11-12-18-20(24-3)15-21(25-4)19-13-14-23(26-5,27-22(18)19)17-9-7-6-8-10-17/h6-11,15H,12-14H2,1-5H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(\C)/C)C2OC(OC)(C3C=CC=CC=3)CCC=2C(OC)=C1

References

Taxonomy Information

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

Other Databases

CHEBI ID
186259
METABOLOMICS ID
FL6FHYNI0001
PubChem CID
44257203

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 364.26
Topological Polar Surface Area 38.99
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 5.04
Molar Refractivity 106.76

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Updated at
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