Structure Database (LMSD)

Common Name
Artelastocarpin
Systematic Name
Synonyms
LM ID
LMPK12111539
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230456
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)
RHDAYJFHJLSBED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-15(2)7-10-19-25(32)20(11-8-16(3)4)29-24(26(19)33)27(34)21-14-23(30(5,6)35)36-22-13-17(31)9-12-18(22)28(21)37-29/h7-9,12-13,23,31-33,35H,10-11,14H2,1-6H3
SMILES (Click to copy)
C12=C(O)C(C/C=C(\C)/C)=C(O)C(C/C=C(\C)/C)=C1OC1C3=CC=C(O)C=C3OC(C(O)(C)C)CC=1C2=O

Other Databases

METABOLOMICS ID
FL3FRNNR0005
PubChem CID
15386210

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 491.45
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.30
Molar Refractivity 142.38

Admin

Created at
-
Updated at
-