Structure Database (LMSD)

Common Name
Apigenin 7-sulfate
Systematic Name
Synonyms
LM ID
LMPK12110431
Formula
C15H10O8S
Exact Mass
Calculate m/z
350.009642
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)
UQUHXFINOFUDCC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-7,16-17H,(H,19,20,21)
SMILES (Click to copy)
C1(OS(O)(=O)=O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0037851
CHEBI ID
176364
METABOLOMICS ID
FL3FAANSS001
PubChem CID
14016776

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 265.99
Topological Polar Surface Area 134.27
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 4.20
Molar Refractivity 83.44

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Updated at
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