Structure Database (LMSD)

Common Name
7-O-Prenylcryptostrobin
Systematic Name
Synonyms
LM ID
LMPK12140196
Formula
C21H22O4
Exact Mass
Calculate m/z
338.15181
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
NMCPIRNLKGZEMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-13(2)9-10-24-18-11-16(22)20-17(23)12-19(25-21(20)14(18)3)15-7-5-4-6-8-15/h4-9,11,19,22H,10,12H2,1-3H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FA9NM0010
PubChem CID
21721820

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 327.02
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.04
Molar Refractivity 97.02

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Updated at
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