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CHEBI:174684 - 7'-Carboxy-alpha-tocotrienol

ChEBI IDCHEBI:174684
ChEBI Name7'-Carboxy-alpha-tocotrienol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESC/C(=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CCC(=O)O
InChIInChI=1S/C21H30O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h7,24H,6,8-12H2,1-5H3,(H,22,23)/b13-7+/t21-/m1/s1
InChIKeyUZOSSXSASNQFOI-FAKWYAOSSA-N
ChEBI Ontology
Outgoing Relation(s)
7'-Carboxy-alpha-tocotrienol (CHEBI:174684) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(E)-7-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4-methylhept-4-enoic acid
Manual XrefsDatabases
30776656ChemSpider
HMDB0012849HMDB