Structure Database (LMSD)

Common Name
Eriotriochin
Systematic Name
Synonyms
LM ID
LMPK12050186
Formula
C27H30O7
Exact Mass
Calculate m/z
466.199155
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GOCBWVPDSGUSDT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H30O7/c1-15(2)5-10-18-25-19(13-21(34-25)27(3,4)33-12-11-28)23(30)22-24(31)20(14-32-26(18)22)16-6-8-17(29)9-7-16/h5-9,14,21,28-30H,10-13H2,1-4H3
SMILES (Click to copy)
C12OC(C(OCCO)(C)C)CC1=C(O)C1C(=O)C(C3=CC=C(O)C=C3)=COC=1C=2C/C=C(/C)\C

Other Databases

CHEBI ID
184828
METABOLOMICS ID
FLIAAANF0006
PubChem CID
131018

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 431.29
Topological Polar Surface Area 111.43
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 6.51
Molar Refractivity 131.73

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Updated at
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