Structure Database (LMSD)

Common Name
Europinidin
Systematic Name
Synonyms
LM ID
LMPK12010416
Formula
C17H15O7
Exact Mass
Calculate m/z
331.08178
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Anthocyanidins [PK1201]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
XJXMPIWHBIOJSH-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-13-5-9(18)6-14-10(13)7-12(20)17(24-14)8-3-11(19)16(21)15(4-8)23-2/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
SMILES (Click to copy)
C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(OC)C=3)C(O)=CC=2C(OC)=C1

Other Databases

Wikipedia
Europinidin
METABOLOMICS ID
FL7ABHNS0001
PubChem CID
14496547

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 274.61
Topological Polar Surface Area 110.68
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.22
Molar Refractivity 85.82

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Updated at
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