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1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl ether

PropertiesImage
MNX_IDMNXM164037 Image of MNXM164037
referencebiggM:CE6504
formulaC18H32O6
global charge0
mol weight344.448
InChIKeyUPKSZTNLXJIVNV-DTQAZKPQSA-N
InChIInChI=1S/C18H32O6/c1-2-3-7-10-15-16(23-15)13-14-22-18(24-21)12-9-6-4-5-8-11-17(19)20/h13,15,18,21H,2-12,14H2,1H3,(H,19,20)/b16-13+
SMILESCCCCCC1O/C1=C/COC(CCCCCCCC(=O)O)OO
MNX internals
InChI (mnx)InChI=1/C18H32O6/c1-2-3-7-10-15-16(23-15)13-14-22-18(24-21)12-9-6-4-5-8-11-17(19)20/h13,15,18,21H,2-12,14H2,1H3,(H,19,20)/b16-13+/t15?,18? Image of MNXM164037
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:7][CH2:10][CH:15]1/[C:16](=[CH:13]\[CH2:14][O:22][CH:18]([CH2:12][CH2:9][CH2:6][CH2:4][CH2:5][CH2:8][CH2:11][C:17](=[O:19])[OH:20])[O:24][OH:21])[O:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE6504
biggM:CE6504
vmhM:CE6504
vmhmetabolite:CE6504
UPKSZTNLXJIVNV-DTQAZKPQSA-M
UPKSZTNLXJIVNV-DTQAZKPQSA-N
1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl ether

biggM:M_CE6504
vmhM:M_CE6504
secondary/obsolete/fantasy identifier