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Fumigaclavine A

MNXM97064 is deprecated and here replaced by MNXM1100302
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100302 Image of MNXM1100302
referencekeggC:C20436
formulaC18H22N2O2
global charge0
mol weight298.386
InChIKeyGJSSYQDXZLZOLR-ONUGHKICSA-N
InChIInChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18+/m1/s1
SMILESCC(=O)O[C@@H]1[C@@H]2C3=CC=CC4=C3C(=CN4)C[C@H]2N(C)C[C@H]1C
MNX internals
InChI (mnx)InChI=1/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18+/m1/s1 Image of MNXM1100302
SMILES (mnx)[CH3:1][C@@H:10]1[CH2:9][N:20]([CH3:3])[C@@H:15]2[CH2:7][C:12]3=[CH:8][NH:19][C:14]4=[CH:6][CH:4]=[CH:5][C:13](=[C:16]34)[C@H:17]2[C@H:18]1[O:22][C:11]([CH3:2])=[O:21]
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:cpd31105
seedM:cpd31105
sabiork.compound:31810
sabiorkM:31810
kegg.compound:C20436
keggC:C20436
GJSSYQDXZLZOLR-ONUGHKICSA-N
GJSSYQDXZLZOLR-ONUGHKICSA-O 		Fumigaclavine A

seed.compound:cpd23355
seedM:cpd23355
GJSSYQDXZLZOLR-VYNPUPGOSA-O 		fumigaclavine A
isofumigaclavine A

keggC:M_C20436
seedM:M_cpd23355
seedM:M_cpd31105 		secondary/obsolete/fantasy identifier