Structure Database (LMSD)

Common Name
Macrourone C
Systematic Name
5,7,2',4'-Tetrahydroxy-8-prenyl-6-geranylflavanone
Synonyms
LM ID
LMPK12140496
Formula
C30H36O6
Exact Mass
Calculate m/z
492.25119
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)
MSLVKOCWDVHASC-XBPZWBIKSA-N
InChi (Click to copy)
InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-13-22-28(34)23(12-9-18(3)4)30-27(29(22)35)25(33)16-26(36-30)21-14-11-20(31)15-24(21)32/h7,9-11,14-15,26,31-32,34-35H,6,8,12-13,16H2,1-5H3/b19-10+/t26-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1C/C=C(/CC/C=C(/C)\C)\C

Other Databases

METABOLOMICS ID
FL2FALNI0035
PubChem CID
42608034

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 495.02
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 6.96
Molar Refractivity 141.12

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Updated at
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