Structure Database (LMSD)

Common Name
Carpelastofuran
Systematic Name
Synonyms
LM ID
LMPK12111524
Formula
C30H34O8
Exact Mass
Calculate m/z
522.22537
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)
CMAJARWNSTVDIA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O8/c1-14(2)7-9-17-27-19(13-22(37-27)30(5,6)35)25(33)23-24(32)18-12-21(29(3,4)34)36-20-11-15(31)8-10-16(20)26(18)38-28(17)23/h7-8,10-11,21-22,31,33-35H,9,12-13H2,1-6H3
SMILES (Click to copy)
C12=C(O)C3CC(C(C)(C)O)OC=3C(C/C=C(\C)/C)=C1OC1C3=CC=C(O)C=C3OC(C(O)(C)C)CC=1C2=O

Other Databases

CHEBI ID
140124
METABOLOMICS ID
FL3FRNNF0006
PubChem CID
44258665

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 5
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 490.52
Topological Polar Surface Area 131.89
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 5.73
Molar Refractivity 143.02

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Updated at
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