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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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1alpha-hydroperoxy-guaia-10(15),11-diene
Properties
Image
Occurences in reactions
MNX_ID
MNXM108801
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
15
H
24
O
2
charge
0
mass
236.17763
reference
chebi:66473
InChIKey
LSSAEGXLQBRSBC-PMOUVXMZSA-N
InChI
InChI=1S/C15H24O2/c1-10(2)13-6-5-12(4)15(17-16)8-7-11(3)14(15)9-13/h11,13-14,16H,1,4-9H2,2-3H3/t11-,13+,14-,15+/m0/s1
SMILES
C=C(C)[C@@H]1CCC(=C)[C@]2(OO)CC[C@H](C)[C@@H]2C1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:66473
chebi:66473
1alpha-hydroperoxy-guaia-10(15),11-diene
(1S,3aS,7R,8aS)-1-methyl-4-methylidene-7-(prop-1-en-2-yl)octahydroazulen-3a(1H)-yl hydroperoxide