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Mycalin A

PropertiesImage
MNX_IDMNXM1130950 Image of MNXM1130950
referencelipidmapsM:LMPK02000065
formulaC15H20Br4O3
global charge0
mol weight567.938
InChIKeyVKCGWMHGGUSMKL-DPFSWFAKSA-N
InChIInChI=1S/C15H20Br4O3/c1-3-7(16)12-6-10(20)15(22-12)13(19)14-9(18)5-8(17)11(4-2)21-14/h1,7-15,20H,4-6H2,2H3/t7-,8+,9-,10-,11-,12-,13+,14-,15+/m1/s1
SMILESC#C[C@@H](Br)[C@H]1C[C@@H](O)[C@@H]([C@@H](Br)[C@@H]2O[C@H](CC)[C@@H](Br)C[C@H]2Br)O1
MNX internals
InChI (mnx)InChI=1/C15H20Br4O3/c1-3-7(16)12-6-10(20)15(22-12)13(19)14-9(18)5-8(17)11(4-2)21-14/h1,7-15,20H,4-6H2,2H3/t7-,8+,9-,10-,11-,12-,13+,14-,15+/m1/s1 Image of MNXM1130950
SMILES (mnx)[CH:1]#[C:3][C@H:7]([C@H:12]1[CH2:6][C@@H:10]([OH:20])[C@@H:15]([C@H:13]([C@H:14]2[C@H:9]([Br:18])[CH2:5][C@H:8]([Br:17])[C@@H:11]([CH2:4][CH3:2])[O:21]2)[Br:19])[O:22]1)[Br:16]
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

lipidmaps:LMPK02000065
lipidmapsM:LMPK02000065
VKCGWMHGGUSMKL-DPFSWFAKSA-N 		Mycalin A