Structure Database (LMSD)

Common Name
Leachianone B
Systematic Name
Synonyms
LM ID
LMPK12140481
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
QBFPWKGRQPYWRQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)6-7-15-10-18-23(32-26(15,3)4)13-20(29)24-19(28)12-22(31-25(18)24)17-9-8-16(27)11-21(17)30-5/h6,8-9,11,13,15,22,27,29H,7,10,12H2,1-5H3
SMILES (Click to copy)
C1C2OC(C)(C)C(C/C=C(\C)/C)CC=2C2OC(C3C(OC)=CC(O)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNI0020
PubChem CID
15719490

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 418.74
Topological Polar Surface Area 89.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.79
Molar Refractivity 121.54

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Updated at
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