Structure Database (LMSD)

Common Name
Sterigmatocystin
Systematic Name
Synonyms
LM ID
LMPK10000001
Formula
C18H12O6
Exact Mass
Calculate m/z
324.06339
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aflatoxins and related substances [PK10]

String Representations

InChiKey (Click to copy)
UTSVPXMQSFGQTM-DCXZOGHSSA-N
InChi (Click to copy)
InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1
SMILES (Click to copy)
C12OC3=C(C(O)=CC=C3)C(=O)C=1C(=CC1O[C@@]3([H])OC=C[C@@]3([H])C2=1)OC

Other Databases

Wikipedia
Sterigmatocystin
KEGG ID
C00961
CHEBI ID
18227
PubChem CID
5280389
Cayman ID
11441

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 257.08
Topological Polar Surface Area 82.27
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.19
Molar Refractivity 86.21

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Updated at
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