Structure Database (LMSD)

O O O O HO O O
Common Name
Agestricin C
Systematic Name
Synonyms
LM ID
LMPK12140628
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
ZHHVNFYJMNMTJL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)18(21)19(17)25-4/h5-7,9,13,21H,8H2,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(OC)=CC=3)CC(=O)C=2C(OC)=C1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FECNS0003
PubChem CID
21721838

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 321.43
Topological Polar Surface Area 85.52
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.13
Molar Refractivity 93.07

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Updated at
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