Structure Database (LMSD)

Systematic Name
6-Farnesyl-3',4',5,7-tetrahydroxyflavanone
Synonyms
LM ID
LMPK12140409
Formula
C30H36O6
Exact Mass
Calculate m/z
492.25119
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)
SRKJFBOJYRJRNL-JKVPGZLTSA-N
InChi (Click to copy)
InChI=1S/C30H36O6/c1-18(2)7-5-8-19(3)9-6-10-20(4)11-13-22-24(32)16-28-29(30(22)35)26(34)17-27(36-28)21-12-14-23(31)25(33)15-21/h7,9,11-12,14-16,27,31-33,35H,5-6,8,10,13,17H2,1-4H3/b19-9+,20-11+/t27-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=C(O)C=1C/C=C(/CC/C=C(/CC/C=C(/C)\C)\C)\C

Other Databases

METABOLOMICS ID
FL2FACNI0015
PubChem CID
15341467

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 495.02
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 7.18
Molar Refractivity 140.98

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Updated at
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