Structure Database (LMSD)

Common Name
2-O-Methylangolensin
Systematic Name
Synonyms
LM ID
LMPK12160608
Formula
C17H18O4
Exact Mass
Calculate m/z
286.12051
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JUUSJQJENSMLRE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H18O4/c1-11(12-4-7-14(20-2)8-5-12)17(19)15-9-6-13(18)10-16(15)21-3/h4-11,18H,1-3H3
SMILES (Click to copy)
C1(O)C=CC(C(=O)C(C)C2=CC=C(OC)C=C2)=C(OC)C=1

Other Databases

METABOLOMICS ID
FLIJ1ANS0002
PubChem CID
14284969

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 272.82
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.40
Molar Refractivity 80.40

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Updated at
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