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Fumigaclavine B

MNXM97128 is deprecated and here replaced by MNXM1100303
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100303

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

formula

C₁₆H₂₀N₂O

charge

mass

256.15756

reference

InChIKey

JUXRVSRUBIFVKE-BBDZHYCFSA-N

InChI

InChI=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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd31106 seedM:cpd31106 kegg.compound:C20437 keggC:C20437	Fumigaclavine B 6,8-alpha-Dimethylergolin-9-beta-ol
sabiork.compound:31811 sabiorkM:31811	Fumigaclavine B
seed.compound:cpd23356 seedM:cpd23356	fumigaclavine B
keggC:M_C20437 seedM:M_cpd23356 seedM:M_cpd31106	secondary/obsolete/fantasy identifier