Structure Database (LMSD)

Common Name
Artoindonesianin A
Systematic Name
Synonyms
LM ID
LMPK12111516
Formula
C35H38O7
Exact Mass
Calculate m/z
570.261755
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
QBDLPAZRIQKEQK-WOJGMQOQSA-N
InChi (Click to copy)
InChI=1S/C35H38O7/c1-17(2)9-8-10-18(3)11-12-20-30-19(13-14-34(4,5)41-30)28(38)27-29(39)21-15-22-25-26(32(21)40-31(20)27)23(36)16-24(37)33(25)42-35(22,6)7/h9,11,13-14,16,22,36-38H,8,10,12,15H2,1-7H3/b18-11+
SMILES (Click to copy)
C12C(=O)C3CC4C(C)(C)OC5=C(O)C=C(O)C(C=3OC=1C(C/C=C(/CC/C=C(\C)/C)\C)=C1OC(C)(C)C=CC1=C2O)=C45

References

Taxonomy Information

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

Other Databases

CHEBI ID
140134
METABOLOMICS ID
FL3FRNND0003
PubChem CID
10603133

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 6
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 539.69
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 9.28
Molar Refractivity 165.07

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Updated at
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