Structure Database (LMSD)

Common Name
7,3'-Dihydroxy-4'-methoxy-8-methylflavan
Systematic Name
Synonyms
LM ID
LMPK12020239
Formula
C17H18O4
Exact Mass
Calculate m/z
286.12051
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
XVHKLOFEZNFSRF-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1
SMILES (Click to copy)
C1(O)C(C)=C2O[C@]([H])(C3C=CC(OC)=C(O)C=3)CCC2=CC=1

Other Databases

KEGG ID
C09646
CHEBI ID
2244
METABOLOMICS ID
FL6F1CNM0001
PubChem CID
442358

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 263.10
Topological Polar Surface Area 60.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.48
Molar Refractivity 79.19

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Updated at
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