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FS-4

PropertiesImage
MNX_IDMNXM125777 Image of MNXM125777
referencechebi:210427
formulaC15H22O3
global charge0
mol weight250.338
InChIKeyMKMOUQVTTUPKSO-KFWWJZLASA-N
InChIInChI=1S/C15H22O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,16,18H,5,7,9-10H2,1-3H3/t13-,14-,15+/m1/s1
SMILESC[C@]1([C@]2(C)C=C[C@@](C)(O)CC2)CC(=O)C=C1CO
MNX internals
InChI (mnx)InChI=1/C15H22O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,16,18H,5,7,9-10H2,1-3H3/t13-,14-,15+/m1/s1 Image of MNXM125777
SMILES (mnx)[CH3:1][C@@:13]1([C@@:15]2([CH3:3])[CH2:9][C:12](=[O:17])[CH:8]=[C:11]2[CH2:10][OH:16])[CH:4]=[CH:6][C@@:14]([CH3:2])([OH:18])[CH2:7][CH2:5]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:210427
chebi:210427
MKMOUQVTTUPKSO-KFWWJZLASA-N 		FS-4
(4R)-4-[(1S,4S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one

CHEBI:138771
chebi:138771
MKMOUQVTTUPKSO-UHFFFAOYSA-N 		4-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one
FS4 toxin
hmdb:HMDB0037064
MKMOUQVTTUPKSO-UHFFFAOYSA-N 		FS4 toxin
4-(4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl)-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
Toxin FS4

hmdb:HMDB37064 		secondary/obsolete/fantasy identifier