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Rabelomycin

MNXM6418 is deprecated and here replaced by MNXM739097
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739097 Image of MNXM739097
referencechebi:32086
formulaC19H14O6
global charge0
mol weight338.315
InChIKeyJJOLHRYZQSDLSA-LJQANCHMSA-N
InChIInChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1
SMILESC[C@]1(O)CC(=O)C2=C(C=C(O)C3=C2C(=O)C2=CC=CC(O)=C2C3=O)C1
MNX internals
InChI (mnx)InChI=1/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1 Image of MNXM739097
SMILES (mnx)[CH3:1][C@@:19]1([OH:25])[CH2:6][C:8]2=[CH:5][C:11]([OH:21])=[C:15]3[C:16](=[C:13]2[C:12](=[O:22])[CH2:7]1)[C:17](=[O:23])[C:9]1=[C:14]([C:10]([OH:20])=[CH:4][CH:2]=[CH:3]1)[C:18]3=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32086
chebi:32086
kegg.compound:C12402
keggC:C12402
JJOLHRYZQSDLSA-LJQANCHMSA-N 		Rabelomycin

seed.compound:cpd09155
seedM:cpd09155
JJOLHRYZQSDLSA-LJQANCHMSA-N 		Rabelomycin
rabelomycin

metacyc.compound:CPD-12953
metacycM:CPD-12953
JJOLHRYZQSDLSA-LJQANCHMSA-N 		rabelomycin

keggC:M_C12402
seedM:M_cpd09155 		secondary/obsolete/fantasy identifier