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Fumigaclavine B

MNXM97128 is deprecated and here replaced by MNXM1100303
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100303 Image of MNXM1100303
referencekeggC:C20437
formulaC16H20N2O
global charge0
mol weight256.349
InChIKeyJUXRVSRUBIFVKE-BBDZHYCFSA-N
InChIInChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/t9-,13-,15-,16+/m1/s1
SMILESC[C@@H]1CN(C)[C@@H]2CC3=CNC4=C3C(=CC=C4)[C@H]2[C@H]1O
MNX internals
InChI (mnx)InChI=1/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/t9-,13-,15-,16+/m1/s1 Image of MNXM1100303
SMILES (mnx)[CH3:1][C@@H:9]1[CH2:8][N:18]([CH3:2])[C@@H:13]2[CH2:6][C:10]3=[CH:7][NH:17][C:12]4=[CH:5][CH:3]=[CH:4][C:11](=[C:14]34)[C@H:15]2[C@H:16]1[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd31106
seedM:cpd31106
kegg.compound:C20437
keggC:C20437
JUXRVSRUBIFVKE-BBDZHYCFSA-N
JUXRVSRUBIFVKE-BBDZHYCFSA-O 		Fumigaclavine B
6,8-alpha-Dimethylergolin-9-beta-ol

sabiork.compound:31811
sabiorkM:31811
JUXRVSRUBIFVKE-BBDZHYCFSA-N 		Fumigaclavine B

seed.compound:cpd23356
seedM:cpd23356
JUXRVSRUBIFVKE-WDNARXHASA-O 		fumigaclavine B

keggC:M_C20437
seedM:M_cpd23356
seedM:M_cpd31106 		secondary/obsolete/fantasy identifier