Structure Database (LMSD)

Common Name
Pyranochromene
Systematic Name
Synonyms
LM ID
LMPK12020088
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KLFQXCVGEVYPOF-PCPPRTPOSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-8-4-16(24)25-15-7-12(21)10-6-14(23)18(26-19(10)17(8)15)9-2-3-11(20)13(22)5-9/h2-3,5,7-8,14,16,18,20-24H,4,6H2,1H3/t8-,14+,16+,18+/m0/s1
SMILES (Click to copy)
C12C[C@@H](O)[C@@H](C3C=CC(O)=C(O)C=3)OC1=C1[C@@H](C)C[C@H](O)OC1=CC=2O

Other Databases

CHEBI ID
193263
METABOLOMICS ID
FL63ACNP0002
PubChem CID
44257104

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 311.71
Topological Polar Surface Area 123.75
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.62
Molar Refractivity 91.65

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Updated at
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