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1alpha-hydroperoxy-guaia-10(15),11-diene

PropertiesImage
MNX_IDMNXM108801 Image of MNXM108801
referencechebi:66473
formulaC15H24O2
global charge0
mol weight236.355
InChIKeyLSSAEGXLQBRSBC-PMOUVXMZSA-N
InChIInChI=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
SMILESC=C(C)[C@@H]1CCC(=C)[C@]2(OO)CC[C@H](C)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM108801
SMILES (mnx)[CH2:1]=[C:10]([CH3:2])[C@@H:13]1[CH2:6][CH2:5][C:12](=[CH2:4])[C@:15]2([O:17][OH:16])[CH2:8][CH2:7][C@H:11]([CH3:3])[C@@H:14]2[CH2:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66473
chebi:66473
LSSAEGXLQBRSBC-PMOUVXMZSA-N
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