IMPPAT Phytochemical information:
D-Cymarose
Summary
IMPPAT Phytochemical identifier: IMPHY010316
Phytochemical name: D-Cymarose
Synonymous chemical names:d-cymarose
External chemical identifiers:CID:5461156, ChEBI:10366, ZINC:ZINC000032223454, FDASRS:T65F4U7ZF2, SureChEMBL:SCHEMBL182616
Chemical structure information
SMILES:
CO[C@H]([C@@H]([C@H](O)C)O)CC=OInChI:
InChI=1S/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6+,7-/m1/s1InChIKey:
GOYBREOSJSERKM-DSYKOEDSSA-NDeepSMILES:
CO[C@H][C@@H][C@H]O)C))O))CC=OFunctional groups:
CC=O, CO, COC
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbonyl compounds
NP Classifier Biosynthetic pathway: Carbohydrates
NP-Likeness score: 2.338
Chemical structure download
