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spheroiden-2-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM6437

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₄₁H₅₈O₂

charge

mass

582.44368

reference

chebi:62480

InChIKey

ZQFURSYWJPLAJR-FZFXUSNISA-N

InChI

InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

SMILES

COC(C)(C)C(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62480 chebi:62480	spheroiden-2-one (3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-2-one (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one 3,4-didehydro-1,2,7',8-tetrahydro-1-methoxy-2-oxo-psi,psi-carotene Spheroidenone all-trans-spheroiden-2-one
lipidmaps:LMPR01070121 lipidmapsM:LMPR01070121	Spheroidenone
kegg.compound:C15903 keggC:C15903	Spheroidenone Spheroiden-2-one
seed.compound:cpd14633 seedM:cpd14633	Spheroidenone Spheroiden-2-one spheroiden-2-one spheroidenone
metacyc.compound:CPD-11466 metacycM:CPD-11466	spheroiden-2-one spheroidenone
keggC:M_C15903 seedM:M_cpd14633	secondary/obsolete/fantasy identifier