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(S)-Hemiketal

Properties

Image

Occurences in reactions

MNX_ID

MNXM6689

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

formula

C₁₆H₁₆O₆

charge

mass

304.09469

reference

InChIKey

YIEUIGLDTPWIHC-VQVVDHBBSA-N

InChI

InChI=1S/C16H16O6/c1-16(21)14-9(6-10(22-16)7-12(18)19)5-8-3-2-4-11(17)13(8)15(14)20/h2-4,10,17,21H,5-7H2,1H3,(H,18,19)/t10-,16?/m0/s1

SMILES

CC1(O)O[C@H](CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:81702 chebi:81702 kegg.compound:C18356 keggC:C18356	(S)-Hemiketal
seed.compound:cpd19621 seedM:cpd19621	(S)-Hemiketal 2-((1R,3S),-1',9'-dihydroxy-1'-methyl-10'-oxo-3',4',5',10'-tetrahydro-1H-benzo[g]isochromen-3'-yl)acetate 2-((1R,3S),-1',9'-dihydroxy-1'-methyl-10'-oxo-3',4',5',10'-tetrahydro-1H-benzo[g]isochromen-3'-yl)acetic acid hemiketal intermediate6
metacyc.compound:CPD1A0-6106 metacycM:CPD1A0-6106	2-((1R,3S),-1',9'-dihydroxy-1'-methyl-10'-oxo-3',4',5',10'-tetrahydro-1H-benzo[g]isochromen-3'-yl)acetate 2-((1R,3S),-1',9'-dihydroxy-1'-methyl-10'-oxo-3',4',5',10'-tetrahydro-1H-benzo[g]isochromen-3'-yl)acetic acid hemiketal intermediate6
keggC:M_C18356 seedM:M_cpd19621	secondary/obsolete/fantasy identifier