Search MNXref
 Feedback

pinselin

PropertiesImage
MNX_IDMNXM107983 Image of MNXM107983
referencechebi:68229
formulaC16H12O6
global charge0
mol weight300.266
InChIKeyTWQNCGDOHUNFFU-UHFFFAOYSA-N
InChIInChI=1S/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3
SMILESCOC(=O)C1=C2C(=O)C3=C(O)C=C(C)C=C3OC2=CC=C1O
MNX internals
InChI (mnx)InChI=1/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3 Image of MNXM107983
SMILES (mnx)[CH3:1][C:7]1=[CH:5][C:9]([OH:18])=[C:12]2[C:11](=[CH:6]1)[O:22][C:10]1=[C:14]([C:13]([C:16](=[O:20])[O:21][CH3:2])=[C:8]([OH:17])[CH:3]=[CH:4]1)[C:15]2=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68229
chebi:68229
TWQNCGDOHUNFFU-UHFFFAOYSA-N
pinselin
methyl 2,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate