MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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Cytosporin D
Properties
Image
Occurences in reactions
MNX_ID
MNXM104214
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
19
H
30
O
5
charge
0
mass
338.20932
reference
chebi:70039
InChIKey
BAJVQMTZYHWAMD-UDIPEWIUSA-N
InChI
InChI=1S/C19H30O5/c1-4-5-6-7-8-9-12-13(11-20)16-19(17(24-19)15(12)22)10-14(21)18(2,3)23-16/h8-9,14-17,20-22H,4-7,10-11H2,1-3H3/b9-8+/t14-,15+,16-,17-,19+/m0/s1
SMILES
CCCCC/C=C/C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@@]23O[C@H]3[C@@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:70039
chebi:70039
Cytosporin D
(1aS,2R,4aS,7S,8aR)-3-[(1E)-1-Hepten-1-yl]-4-(hydroxymethyl)-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH,6H-oxireno[e]chromene-2,7-diol