Structure Database (LMSD)

Common Name
Epilumaflavanone A
Systematic Name
Synonyms
LM ID
LMPK12140157
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)
OPEYJCQUCFYYHO-MOPGFXCFSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-14(2)19-21-24(36-27-22(19)26(33)29(4,5)28(34)30(27,6)7)15(3)23(32)20-17(31)13-18(35-25(20)21)16-11-9-8-10-12-16/h8-12,14,18-19,32H,13H2,1-7H3/t18-,19+/m1/s1
SMILES (Click to copy)
C1(C)(C)C(=O)C2[C@@H](C(C)C)C3C4O[C@@H](C5C=CC=CC=5)CC(=O)C=4C(O)=C(C)C=3OC=2C(C)(C)C1=O

Other Databases

METABOLOMICS ID
FL2FA9NC0012
PubChem CID
11038264

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 470.30
Topological Polar Surface Area 94.04
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 6.00
Molar Refractivity 134.41

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Updated at
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