Structure Database (LMSD)

Common Name
Flemichin E
Systematic Name
Synonyms
LM ID
LMPK12140512
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
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)
KUXXTDJGIYMELO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-15(2)7-8-18-27-17(9-10-29(3,4)37-27)26(34)25-21(32)14-23(35-28(18)25)19-11-16-12-24(33)30(5,6)36-22(16)13-20(19)31/h7,9-11,13,23-24,31,33-34H,8,12,14H2,1-6H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)CC(C3C=C4CC(O)C(C)(C)OC4=CC=3O)OC=1C=2C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FALNP0008
PubChem CID
42608043

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 481.73
Topological Polar Surface Area 111.66
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 6.43
Molar Refractivity 141.36

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Updated at
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