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(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one

PropertiesImage
MNX_IDMNXM35200 Image of MNXM35200
referencechebi:73982
formulaC13H22O4
global charge0
mol weight242.315
InChIKeyREAWNMHCBIUKLZ-ZYHUDNBSSA-N
InChIInChI=1S/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,12,14H,3-8H2,1-2H3/t10-,12-/m1/s1
SMILESCC(C)CCCCC(=O)[C@@H]1C(=O)OC[C@H]1CO
MNX internals
InChI (mnx)InChI=1/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,12,14H,3-8H2,1-2H3/t10-,12-/m1/s1 Image of MNXM35200
SMILES (mnx)[CH3:1][CH:9]([CH3:2])[CH2:5][CH2:3][CH2:4][CH2:6][C:11]([C@H:12]1[C@H:10]([CH2:7][OH:14])[CH2:8][O:17][C:13]1=[O:16])=[O:15]
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:73982
chebi:73982
REAWNMHCBIUKLZ-ZYHUDNBSSA-N 		(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)dihydrofuran-2(3H)-one
3beta-(6-methylheptanoyl)-4alpha-(hydroxymethyl)-4,5-dihydrofuran-2(3H)-one
A-Factor

seed.compound:cpd22570
seedM:cpd22570
REAWNMHCBIUKLZ-ZYHUDNBSSA-N 		2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone
(4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
A factor
A-Factor
A-Factor (lactone)
A-Factor (streptomyces)
A-factor (lactone)
A-factor (streptomyces)

metacyc.compound:CPD-10135
metacycM:CPD-10135
REAWNMHCBIUKLZ-ZYHUDNBSSA-N 		2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone
(4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
A factor
A-factor (lactone)
A-factor (streptomyces)

seedM:M_cpd22570 		secondary/obsolete/fantasy identifier