Structure Database (LMSD)

Common Name
Rosinidin
Systematic Name
3,5,4'-Trihydroxy-7,3'-dimethoxyflavylium
Synonyms
LM ID
LMPK12010417
Formula
C17H15O6
Exact Mass
Calculate m/z
315.086865
Status
Curated
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/
Primulaceae (#4335)
Magnoliopsida (#3398)
Flavonoids of the Primulaceae: Anthocyanidins of the Primulaceae,
Nature, 1958

String Representations

InChiKey (Click to copy)
GNONHFYAESLOCB-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1
SMILES (Click to copy)
C1(OC)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O)=CC=2C(O)=C1

Other Databases

Wikipedia
Rosinidin
KEGG ID
C08729
CHEBI ID
8893
METABOLOMICS ID
FL7ACDNS0001
PubChem CID
441777

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 265.82
Topological Polar Surface Area 90.45
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.51
Molar Refractivity 84.16

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Created at
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Updated at
2nd Dec 2024