Structure Database (LMSD)

Common Name
Artelastochromene
Systematic Name
Synonyms
LM ID
LMPK12111533
Formula
C30H30O6
Exact Mass
Calculate m/z
486.204241
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
NECAWZYXMSKYRB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H30O6/c1-15(2)7-9-20-27-19(11-12-30(5,6)36-27)25(32)24-26(33)23-22(13-16(3)4)34-21-14-17(31)8-10-18(21)28(23)35-29(20)24/h7-8,10-14,22,31-32H,9H2,1-6H3
SMILES (Click to copy)
C12=C(O)C3C=CC(C)(C)OC=3C(C/C=C(/C)\C)=C1OC1C3=CC=C(O)C=C3OC(/C=C(\C)/C)C=1C2=O

Other Databases

CHEBI ID
169779
METABOLOMICS ID
FL3FRNNP0008
PubChem CID
5471310

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 467.66
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.08
Molar Refractivity 139.84

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Updated at
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