Structure Database (LMSD)

Common Name
Sanggenon G
Systematic Name
Synonyms
LM ID
LMPK12140529
Formula
C40H38O11
Exact Mass
Calculate m/z
694.241415
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)
VYCKCQBOVSSJSK-CFQOWUBYSA-N
InChi (Click to copy)
InChI=1S/C40H38O11/c1-19(2)4-3-5-20-12-27(24-9-6-21(41)14-29(24)44)36(39(49)26-11-8-23(43)16-31(26)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)25-10-7-22(42)15-30(25)45/h4,6-11,13-16,18,27-28,34,36,41-47,50H,3,5,12,17H2,1-2H3/t27-,28?,34?,36-/m1/s1
SMILES (Click to copy)
C1(C2[C@H](C(C3C(O)=CC(O)=CC=3)=O)[C@@H](C3C=CC(O)=CC=3O)CC(CC/C=C(\C)/C)=C2)C(O)=CC2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
184757
METABOLOMICS ID
FL2FALNR0002
PubChem CID
42608053

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 6
Aromatic Rings 4
Rotatable Bonds 8
Van der Waals Molecular Volume 637.25
Topological Polar Surface Area 207.28
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 11
logP 7.48
Molar Refractivity 186.07

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Updated at
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