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echinenone

Properties

Image

Occurences in reactions

MNX_ID

MNXM3591

	#reac
in my sandbox	0
in MNXref (generic)	30
in models (compartimentalized)	7

formula

C₄₀H₅₄O

charge

mass

550.41747

reference

chebi:4746

InChIKey

QXNWZXMBUKUYMD-QQGJMDNJSA-N

InChI

InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4746 chebi:4746	echinenone 4-keto-beta-carotene 4-oxo-beta-carotene Echinenone aphanin beta,beta-caroten-4-one myoxanthin
bigg.metabolite:echin biggM:echin	Echinenone
lipidmaps:LMPR01070060 lipidmapsM:LMPR01070060	Echinenone/ (Myxoxanthin)
kegg.compound:C08592 keggC:C08592	Echinenone beta,beta-Caroten-4-one
seed.compound:cpd05499 seedM:cpd05499	Echinenone echinenone
metacyc.compound:CPD-7850 metacycM:CPD-7850	echinenone
biggM:M_echin keggC:M_C08592 seedM:M_cpd05499	secondary/obsolete/fantasy identifier