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Ligraminol C

PropertiesImage
MNX_IDMNXM106191 Image of MNXM106191
referencechebi:69665
formulaC23H28O6
global charge0
mol weight400.471
InChIKeyPYVVKTYHVHGNMI-ZJTDORCHSA-N
InChIInChI=1S/C23H28O6/c1-7-8-17-9-11-20(21(13-17)26-5)28-15(2)23(29-16(3)24)18-10-12-19(25-4)22(14-18)27-6/h7-15,23H,1-6H3/b8-7-/t15-,23+/m1/s1
SMILESC/C=C\C1=CC(OC)=C(O[C@H](C)[C@H](OC(C)=O)C2=CC(OC)=C(OC)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C23H28O6/c1-7-8-17-9-11-20(21(13-17)26-5)28-15(2)23(29-16(3)24)18-10-12-19(25-4)22(14-18)27-6/h7-15,23H,1-6H3/b8-7-/t15-,23+/m1/s1 Image of MNXM106191
SMILES (mnx)[CH3:1]/[CH:7]=[CH:8]\[C:17]1=[CH:13][C:21]([O:26][CH3:5])=[C:20]([O:28][C@H:15]([CH3:2])[C@@H:23]([C:18]2=[CH:14][C:22]([O:27][CH3:6])=[C:19]([O:25][CH3:4])[CH:12]=[CH:10]2)[O:29][C:16]([CH3:3])=[O:24])[CH:11]=[CH:9]1
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:69665
chebi:69665
PYVVKTYHVHGNMI-ZJTDORCHSA-N
Ligraminol C