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Aplysinal

PropertiesImage
MNX_IDMNXM42414 Image of MNXM42414
referencekeggC:C17177
formulaC15H17BrO2
global charge0
mol weight309.203
InChIKeyVRWMUPPZOHFLPX-LKTVYLICSA-N
InChIInChI=1S/C15H17BrO2/c1-9-6-13-11(7-12(9)16)14(3)5-4-10(2)15(14,8-17)18-13/h6-8,10H,4-5H2,1-3H3/t10-,14-,15-/m0/s1
SMILESCC1=C(Br)C=C2C(=C1)O[C@@]1(C=O)[C@@H](C)CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C15H17BrO2/c1-9-6-13-11(7-12(9)16)14(3)5-4-10(2)15(14,8-17)18-13/h6-8,10H,4-5H2,1-3H3/t10-,14-,15-/m0/s1 Image of MNXM42414
SMILES (mnx)[CH3:1][C:9]1=[C:12]([Br:16])[CH:7]=[C:11]2[C:13](=[CH:6]1)[O:18][C@@:15]1([CH:8]=[O:17])[C@@H:10]([CH3:2])[CH2:4][CH2:5][C@@:14]21[CH3:3]
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

seed.compound:cpd19234
seedM:cpd19234
kegg.compound:C17177
keggC:C17177
VRWMUPPZOHFLPX-LKTVYLICSA-N 		Aplysinal

keggC:M_C17177
seedM:M_cpd19234 		secondary/obsolete/fantasy identifier