Structure Database (LMSD)

Systematic Name
Europinidin 3-galactoside
Synonyms
LM ID
LMPK12010414
Formula
C23H25O12
Exact Mass
Calculate m/z
493.134606
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/
Ceratostigma plumbaginoides (#278073)
Magnoliopsida (#3398)
Comparative biochemistry of the flavonoids-IV. : Correlations between chemistry, pollen morphology and systematics in the family plumbaginaceae,
Phtyochemistry, 1967

String Representations

InChiKey (Click to copy)
IMXDUPARSULLGK-XSEKTIEYSA-O
InChi (Click to copy)
InChI=1S/C23H24O12/c1-31-13-5-10(25)6-14-11(13)7-16(34-23-21(30)20(29)19(28)17(8-24)35-23)22(33-14)9-3-12(26)18(27)15(4-9)32-2/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19+,20+,21-,23-/m1/s1
SMILES (Click to copy)
C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)=CC=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL7ABHGA0001
PubChem CID
44257019

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 410.00
Topological Polar Surface Area 191.90
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 2.41
Molar Refractivity 121.60

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Created at
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Updated at
29th Dec 2024