Structure Database (LMSD)

Common Name
Hildecarpidin
Systematic Name
Synonyms
LM ID
LMPK12070113
Formula
C21H18O7
Exact Mass
Calculate m/z
382.105255
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DJHQWCYVXKGRAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O7/c1-10(7-22)14-3-11-2-12-16(5-15(11)27-14)24-8-21(23)13-4-18-19(26-9-25-18)6-17(13)28-20(12)21/h2,4-6,14,20,22-23H,1,3,7-9H2
SMILES (Click to copy)
C12OC(C(=C)CO)CC1=CC1C3OC4C=C5OCOC5=CC=4C3(O)COC=1C=2

Other Databases

METABOLOMICS ID
FLIDHXNF0007
PubChem CID
13845978

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 6
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 318.95
Topological Polar Surface Area 96.96
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 2.84
Molar Refractivity 97.61

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Updated at
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