Structure Database (LMSD)

Common Name
Artocommunol CC
Systematic Name
Synonyms
LM ID
LMPK12111527
Formula
C30H32O7
Exact Mass
Calculate m/z
504.214805
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DNQGMSASTSNOOR-YJJLJQPASA-N
InChi (Click to copy)
InChI=1S/C30H32O7/c1-16(2)7-6-11-30(5)12-10-19-23(37-30)15-21(32)25-26(33)20-14-24(29(3,4)34)35-22-13-17(31)8-9-18(22)27(20)36-28(19)25/h7-10,12-13,15,24,31-32,34H,6,11,14H2,1-5H3/t24-,30?/m0/s1
SMILES (Click to copy)
C12C(=O)C3C[C@@H](C(C)(C)O)OC4C=C(O)C=CC=4C=3OC=1C1C=CC(C)(CC/C=C(\C)/C)OC=1C=C2O

Other Databases

CHEBI ID
179728
METABOLOMICS ID
FL3FRNNP0002
PubChem CID
44258668

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 5
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 468.19
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 7.62
Molar Refractivity 144.04

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Updated at
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