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7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

PropertiesImage
MNX_IDMNXM5028 Image of MNXM5028
referencechebi:64274
formulaC10H16O3
global charge0
mol weight184.235
InChIKeyZZVPZXLETLTSEB-UHFFFAOYSA-N
InChIInChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3
SMILESC=C(C)C1CCC(C)(O)OC(=O)C1
MNX internals
InChI (mnx)InChI=1/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8?,10? Image of MNXM5028
SMILES (mnx)[CH2:1]=[C:7]([CH3:2])[CH:8]1[CH2:4][CH2:5][C:10]([CH3:3])([OH:12])[O:13][C:9](=[O:11])[CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64274
chebi:64274
ZZVPZXLETLTSEB-UHFFFAOYSA-N 		7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one

seed.compound:cpd22024
seedM:cpd22024
ZZVPZXLETLTSEB-UHFFFAOYSA-N 		3-Isopropenyl-4H-hexano-lactones

metacyc.compound:3-Isopropenyl-4H-hexano-lactones
metacycM:3-Isopropenyl-4H-hexano-lactones
ZZVPZXLETLTSEB-UHFFFAOYSA-N 		a 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
a 3-isopropenyl-4-hydroxy-hexano-6-lactone
a 7-hydroxy-4-isoprenyl-7-methyl-2-oxo-oxepanone

seedM:M_cpd22024 		secondary/obsolete/fantasy identifier