(5R)-5-hydroxy-2,4,4,5-tetramethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one (CHEBI:83016)

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CHEBI:83016 - (5R)-5-hydroxy-2,4,4,5-tetramethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one

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ChEBI ID	CHEBI:83016
ChEBI Name	(5R)-5-hydroxy-2,4,4,5-tetramethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one
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Definition	A natural product found in Daphnia magna.
Downloads	Molfile

Formula	C41H56O2
Net Charge	0
Average Mass	580.897
Monoisotopic Mass	580.42803
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)C[C@@](C)(O)C2(C)C)C(C)(C)CCC1
InChI	InChI=1S/C41H56O2/c1-30(19-14-21-32(3)24-26-36-34(5)23-16-28-39(36,7)8)17-12-13-18-31(2)20-15-22-33(4)25-27-37-35(6)38(42)29-41(11,43)40(37,9)10/h12-15,17-22,24-27,43H,16,23,28-29H2,1-11H3/b13-12+,19-14+,20-15+,26-24+,27-25+,30-17+,31-18+,32-21+,33-22+/t41-/m1/s1
InChIKey	OLUCEEMFTQYHBX-UAOOWZSQSA-N

Species of Metabolite	Component	Source	Comments
Daphnia magna (ncbitaxon:35525)	-	Article (Animal Carotenoids 29. New (2 R )-2-hydroxy-4-keto- b -type carotenoids from Daphnia magna (Crustaceae) Per Foss, Vassilia Partali, Yngvar Olsen, Gunner Borch and Synnove Liaaen-Jensen Acta Chemica Scandinavica B 40 (1986) 157-162)

ChEBI Ontology

Outgoing Relation(s)
	(5R)-5-hydroxy-2,4,4,5-tetramethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one (CHEBI:83016) is a xanthophyll (CHEBI:27325)