Structure Database (LMSD)

Common Name
Myriconol
Systematic Name
Synonyms
LM ID
LMPK12060017
Formula
C23H22O6
Exact Mass
Calculate m/z
394.14164
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
IWBCQVBHUFYGAK-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C23H22O6/c1-4-5-6-7-13-8-15-18(10-16(13)24)29-21-12-28-17-11-20(27-3)19(26-2)9-14(17)22(21)23(15)25/h4,6-11,21-22,24H,1,5,12H2,2-3H3/b7-6+
SMILES (Click to copy)
C1(O)=CC2OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=2C=C1/C=C/CC=C

Other Databases

METABOLOMICS ID
FLIF1LNI0001
PubChem CID
44257402

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 364.20
Topological Polar Surface Area 78.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.69
Molar Refractivity 109.49

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Updated at
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