Structure Database (LMSD)

Common Name
7-O-Methylpeltogynol
Systematic Name
Synonyms
LM ID
LMPK12020223
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
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)
ITTMSOHPADBFBP-ZACQAIPSSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-9-2-3-10-14(5-9)23-16-11-6-13(19)12(18)4-8(11)7-22-17(16)15(10)20/h2-6,15-20H,7H2,1H3/t15-,16-,17+/m1/s1
SMILES (Click to copy)
C12C=C(OC)C=CC=1[C@@H](O)[C@@H]1OCC3C=C(O)C(O)=CC=3[C@H]1O2

Other Databases

CHEBI ID
190117
METABOLOMICS ID
FL6DPTNS0003
PubChem CID
44257171

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 268.32
Topological Polar Surface Area 92.52
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.46
Molar Refractivity 80.18

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Updated at
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