Structure Database (LMSD)

Systematic Name
2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
Synonyms
LM ID
LMPK12113387
Formula
C16H10O7
Exact Mass
Calculate m/z
314.042655
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)
WOLQFWZOEYHATG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O7/c17-7-2-11(20)13-12(3-7)23-15-8-4-10(19)9(18)1-6(8)5-22-16(15)14(13)21/h1-4,17-20H,5H2
SMILES (Click to copy)
C1(O)=CC2OC3C4C=C(O)C(O)=CC=4COC=3C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
186162
METABOLOMICS ID
FL5FPTNS0001
PubChem CID
44260087

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 243.63
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.07
Molar Refractivity 79.02

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Updated at
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