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MHNCH

PropertiesImage
MNX_IDMNXM1128412 Image of MNXM1128412
referencechebi:166460
formulaC17H30O5
global charge0
mol weight314.422
InChIKeyWPTRTTWYMWWUTQ-UHFFFAOYSA-N
InChIInChI=1S/C17H30O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h12-15,18H,3-11H2,1-2H3,(H,19,20)
SMILESCC(O)CCC(C)CCCOC(=O)C1CCCCC1C(=O)O
MNX internals
InChI (mnx)InChI=1/C17H30O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h12-15,18H,3-11H2,1-2H3,(H,19,20)/t12?,13?,14?,15? Image of MNXM1128412
SMILES (mnx)[CH3:1][CH:12]([CH2:6][CH2:5][CH2:11][O:22][C:17]([CH:15]1[CH2:8][CH2:4][CH2:3][CH2:7][CH:14]1[C:16](=[O:19])[OH:20])=[O:21])[CH2:9][CH2:10][CH:13]([CH3:2])[OH:18]
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:166460
chebi:166460
WPTRTTWYMWWUTQ-UHFFFAOYSA-N 		MHNCH
2-(7-hydroxy-4-methyloctoxy)carbonylcyclohexane-1-carboxylic acid