Structure Database (LMSD)

Common Name
Amoradinin
Systematic Name
Synonyms
LM ID
LMPK12140583
Formula
C27H32O6
Exact Mass
Calculate m/z
452.21989
Status
Active
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)
RIILZRHMYBTZEI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H32O6/c1-15(2)7-10-18-25(30)24-21(29)14-22(17-9-12-20(28)23(13-17)31-5)33-27(24)19(26(18)32-6)11-8-16(3)4/h7-9,12-13,22,28,30H,10-11,14H2,1-6H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(\C)/C)C2OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FCDNI0001
PubChem CID
42608080

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 445.76
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.84
Molar Refractivity 127.90

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Updated at
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