2-(8-hydroxy-2-oxotridecyl)-6-oxopyran-4-olate

Properties Image MNX_ID MNXM147713 reference metacycM:CPD-17645 formula C18H27O5 global charge -1 mol weight 323.409 InChIKey RGRXEJAZCMLORS-UHFFFAOYSA-M InChI InChI=1S/C18H28O5/c1-2-3-5-8-14(19)9-6-4-7-10-15(20)11-17-12-16(21)13-18(22)23-17/h12-14,19,21H,2-11H2,1H3/p-1 SMILES CCCCCC(O)CCCCCC(=O)CC1=CC([O-])=CC(=O)O1 MNX internals InChI (mnx) InChI=1/C18H28O5/c1-2-3-5-8-14(19)9-6-4-7-10-15(20)11-17-12-16(21)13-18(22)23-17/h12-14,19,21H,2-11H2,1H3/t14? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:5][CH2:8][CH:14]([CH2:9][CH2:6][CH2:4][CH2:7][CH2:10][C:15]([CH2:11][C:17]1=[CH:12][C:16]([OH:21])=[CH:13][C:18](=[O:22])[O:23]1)=[O:20])[OH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0