Structure Database (LMSD)

Common Name
Amoritin
Systematic Name
Synonyms
LM ID
LMPK12140440
Formula
C31H38O6
Exact Mass
Calculate m/z
506.266841
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LBUIMKICYMGNNI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H38O6/c1-17(2)8-11-20-14-21(15-26(36-7)28(20)33)25-16-24(32)27-30(35)22(12-9-18(3)4)29(34)23(31(27)37-25)13-10-19(5)6/h8-10,14-15,25,33-35H,11-13,16H2,1-7H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C(OC)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

CHEBI ID
186437
METABOLOMICS ID
FL2FADNI0002
PubChem CID
42608008

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 512.32
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 7.04
Molar Refractivity 146.15

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Updated at
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