Structure Database (LMSD)

OH OH HO O O OH
Common Name
Amorisin
Systematic Name
Synonyms
LM ID
LMPK12140399
Formula
C30H36O6
Exact Mass
Calculate m/z
492.25119
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MMANUYZNFICSMK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H36O6/c1-16(2)7-10-19-13-20(14-24(32)27(19)33)25-15-23(31)26-29(35)21(11-8-17(3)4)28(34)22(30(26)36-25)12-9-18(5)6/h7-9,13-14,25,32-35H,10-12,15H2,1-6H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C(O)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FACNI0005
PubChem CID
16727161

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 495.02
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 6.74
Molar Refractivity 141.26

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Updated at
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