(1R,3S,6E)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol (CHEBI:181896)

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CHEBI:181896 - (1R,3S,6E)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol

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ChEBI ID	CHEBI:181896
ChEBI Name	(1R,3S,6E)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H58O4
Net Charge	0
Average Mass	602.900
Monoisotopic Mass	602.43351
SMILES	CC(/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C1/C(C)(C)C[C@H](O)C[C@]1(C)O
InChI	InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-23-35-37(5,6)25-33(41)27-39(35,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-36-38(7,8)26-34(42)28-40(36,10)44/h11-24,33-34,41-44H,25-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,35-23+,36-24+/t33-,34-,39-,40+/m0/s1
InChIKey	MVDDWUSHVUIKEM-BCRGLMEZSA-N

ChEBI Ontology

Outgoing Relation(s)
	(1R,3S,6E)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol (CHEBI:181896) is a xanthophyll (CHEBI:27325)

IUPAC Name
(1R,3S,6E)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol