Structure Database (LMSD)

Systematic Name
5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Synonyms
LM ID
LMPK12113357
Formula
C18H16O10
Exact Mass
Calculate m/z
392.07435
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
STOZTZBHYTVXHP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O10/c1-25-16-11(22)9-12(23)17(26-2)14(28-15(9)18(27-3)13(16)24)6-4-7(19)10(21)8(20)5-6/h4-5,19-22,24H,1-3H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FGGNS0001
PubChem CID
11383767

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 316.96
Topological Polar Surface Area 159.05
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 2.91
Molar Refractivity 96.01

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Updated at
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