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(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

PropertiesImage
MNX_IDMNXM6520 Image of MNXM6520
referencechebi:138596
formulaC10H16O3
global charge0
mol weight184.235
InChIKeyZZVPZXLETLTSEB-WPRPVWTQSA-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/t8-,10-/m0/s1
SMILESC=C(C)[C@H]1CC[C@@](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-/m0/s1 Image of MNXM6520
SMILES (mnx)[CH2:1]=[C:7]([CH3:2])[C@H: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:138596
chebi:138596
ZZVPZXLETLTSEB-WPRPVWTQSA-N 		(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
(4S,7S)-7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one

seed.compound:cpd20344
seedM:cpd20344
ZZVPZXLETLTSEB-PEHGTWAWSA-N 		(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone
(3S,6S)-3-isopropenyl-4-hydroxy-hexano-6-lactone
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one
(4S)-7-hydroxy-4-isoprenyl-7-methyl-2-oxo-oxepanone
(4S)-7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one

kegg.compound:C19084
keggC:C19084
ZZVPZXLETLTSEB-PEHGTWAWSA-N 		(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one

metacyc.compound:CPD-10060
metacycM:CPD-10060
ZZVPZXLETLTSEB-PEHGTWAWSA-N 		(4S)-7-hydroxy-4-isoprenyl-7-methyl-2-oxo-oxepanone
(4S)-7-hydroxy-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one

CHEBI:82207
chebi:82207
ZZVPZXLETLTSEB-PEHGTWAWSA-N 		(4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one

SLM:000597863
slm:000597863
ZZVPZXLETLTSEB-WPRPVWTQSA-N 		(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one

keggC:M_C19084
seedM:M_cpd20344 		secondary/obsolete/fantasy identifier