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hyperforin

MNXM56981 is deprecated and here replaced by MNXM738313
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738313

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₅H₅₂O₄

charge

mass

536.38656

reference

chebi:5834

InChIKey

IWBJJCOKGLUQIZ-HQKKAZOISA-N

InChI

InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1

SMILES

CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5834 chebi:5834	hyperforin (1R,5S,6R,7S)-4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione (1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione Hyperforin hiperforina hyperforine
kegg.compound:C07608 keggC:C07608	Hyperforin
seed.compound:cpd04772 seedM:cpd04772	Hyperforin hyperforin
metacyc.compound:CPD-9635 metacycM:CPD-9635	hyperforin
keggC:M_C07608 seedM:M_cpd04772	secondary/obsolete/fantasy identifier