Structure Database (LMSD)

OH HO OH O O O O
Common Name
Euchretin A
Systematic Name
Synonyms
LM ID
LMPK12160011
Formula
C30H30O7
Exact Mass
Calculate m/z
502.199155
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

String Representations

InChiKey (Click to copy)
PVEAILZIDDKAJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H30O7/c1-14(2)7-9-16-23(32)17(10-8-15(3)4)28-22(24(16)33)25(34)21-19-13-20(31)27-18(11-12-30(5,6)37-27)26(19)35-29(21)36-28/h7-8,11-13,31-33H,9-10H2,1-6H3
SMILES (Click to copy)
C1(O)=C(C/C=C(/C)\C)C2OC3OC4C(=CC(O)=C5OC(C)(C)C=CC5=4)C=3C(=O)C=2C(O)=C1C/C=C(\C)/C

References

Taxonomy Information

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

Other Databases

CHEBI ID
140091
METABOLOMICS ID
FLIG1LNP0002
PubChem CID
10368763

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 5
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 465.55
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 8.07
Molar Refractivity 143.62

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Created at
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Updated at
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