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Fumigaclavine A

MNXM97064 is deprecated and here replaced by MNXM1100302
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100302

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₈H₂₂N₂O₂

charge

mass

298.16813

reference

InChIKey

GJSSYQDXZLZOLR-ONUGHKICSA-N

InChI

InChI=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

SMILES

CC(=O)O[C@H]1[C@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:31810 sabiorkM:31810 seed.compound:cpd31105 seedM:cpd31105 kegg.compound:C20436 keggC:C20436	Fumigaclavine A
seed.compound:cpd23355 seedM:cpd23355	fumigaclavine A isofumigaclavine A
keggC:M_C20436 seedM:M_cpd23355 seedM:M_cpd31105	secondary/obsolete/fantasy identifier