Structure Database (LMSD)

Common Name
Amorin
Systematic Name
Synonyms
LM ID
LMPK12140422
Formula
C30H32O6
Exact Mass
Calculate m/z
488.21989
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)
HRNLTDFVEVHLFF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-16(2)7-8-20-27-19(10-12-30(5,6)36-27)25(33)24-21(31)15-23(34-28(20)24)18-13-17-9-11-29(3,4)35-26(17)22(32)14-18/h7,9-14,23,32-33H,8,15H2,1-6H3
SMILES (Click to copy)
C12C=CC(C)(C)OC1=C(C/C=C(\C)/C)C1OC(C3C=C(O)C4OC(C)(C)C=CC=4C=3)CC(=O)C=1C=2O

Other Databases

METABOLOMICS ID
FL2FACNP0005
PubChem CID
14187657

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 470.30
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.25
Molar Refractivity 140.17

Admin

Created at
-
Updated at
-