Structure Database (LMSD)

Common Name
Tricetinidin
Systematic Name
Synonyms
LM ID
LMPK12010440
Formula
C15H11O6
Exact Mass
Calculate m/z
287.055565
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)
CMPNIWQMRYYTMK-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1
SMILES (Click to copy)
C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C=CC=2C(O)=C1

Other Databases

Wikipedia
Tricetinidin
HMDB ID
HMDB0034043
CHEBI ID
179145
METABOLOMICS ID
FL7DAGNS0001
PubChem CID
11199650

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 231.22
Topological Polar Surface Area 112.45
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 2.91
Molar Refractivity 74.38

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Updated at
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