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PM050463

PropertiesImage
MNX_IDMNXM108094 Image of MNXM108094
referencechebi:69898
formulaC25H36O4
global charge0
mol weight400.559
InChIKeyPIYNCLUPGLBENL-FJPKWDFVSA-N
InChIInChI=1S/C25H36O4/c1-9-18(4)23(26)19(5)15-17(3)12-10-11-16(2)13-14-22-20(6)24(27)21(7)25(28-8)29-22/h9-10,12-16,19,23,26H,11H2,1-8H3/b12-10+,14-13+,17-15+,18-9+/t16?,19-,23+/m1/s1
SMILESC/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/CC(C)/C=C/C1=C(C)C(=O)C(C)=C(OC)O1
MNX internals
InChI (mnx)InChI=1/C25H36O4/c1-9-18(4)23(26)19(5)15-17(3)12-10-11-16(2)13-14-22-20(6)24(27)21(7)25(28-8)29-22/h9-10,12-16,19,23,26H,11H2,1-8H3/b12-10+,14-13+,17-15+,18-9+/t16?,19-,23+/m1/s1 Image of MNXM108094
SMILES (mnx)[CH3:1]/[CH:9]=[C:18](\[CH3:4])[C@@H:23]([C@H:19]([CH3:5])/[CH:15]=[C:17]([CH3:3])/[CH:12]=[CH:10]/[CH2:11][CH:16]([CH3:2])/[CH:13]=[CH:14]/[C:22]1=[C:20]([CH3:6])[C:24](=[O:27])[C:21]([CH3:7])=[C:25]([O:28][CH3:8])[O:29]1)[OH:26]
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:69898
chebi:69898
PIYNCLUPGLBENL-FJPKWDFVSA-N 		PM050463
2-[(1E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tetramethyl-1,5,7,11-tridecatetraen-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one