Structure Database (LMSD)

O OH HO O O O
Common Name
Euchrenone a12
Systematic Name
Synonyms
LM ID
LMPK12140519
Formula
C30H32O6
Exact Mass
Calculate m/z
488.21989
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
AFNMVZWHERFZJC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-16(2)7-8-18-26(33)25-22(32)15-24(34-28(25)19-10-12-30(5,6)36-27(18)19)20-13-17-9-11-29(3,4)35-23(17)14-21(20)31/h7,9-14,24,31,33H,8,15H2,1-6H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C2OC(C)(C)C=CC=2C2OC(C3C(O)=CC4OC(C)(C)C=CC=4C=3)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNP0015
PubChem CID
42608046

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 470.30
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.25
Molar Refractivity 140.17

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Created at
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Updated at
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