Structure Database (LMSD)

Common Name
Fisetinidol-4beta-ol 7,3',4'-trimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12020183
Formula
C18H20O6
Exact Mass
Calculate m/z
332.12599
Status
Active
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)
QCFSYZYQJLPYCO-OKZBNKHCSA-N
InChi (Click to copy)
InChI=1S/C18H20O6/c1-21-11-5-6-12-14(9-11)24-18(17(20)16(12)19)10-4-7-13(22-2)15(8-10)23-3/h4-9,16-20H,1-3H3/t16-,17-,18+/m0/s1
SMILES (Click to copy)
C1(OC)=CC2O[C@H](C3C=C(OC)C(OC)=CC=3)[C@@H](O)[C@@H](O)C=2C=C1

Other Databases

CHEBI ID
186066
METABOLOMICS ID
FL6D1CNS0006
PubChem CID
14991957

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 297.98
Topological Polar Surface Area 79.45
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.53
Molar Refractivity 87.39

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Updated at
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