CHEBI:174955 - 9'-Carboxy-gamma-tocotrienol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 9'-Carboxy-gamma-tocotrienol
ChEBI ID CHEBI:174955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H32O4
Net Charge 0
Average Mass 372.505
Monoisotopic Mass 372.23006
InChI InChI=1S/C23H32O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h9-10,14,24H,6-8,11-13H2,1-5H3,(H,25,26)/b15-9+,16-10+/t23-/m1/s1
InChIKey QSRURDPJEKTSFH-ODPFLYRHSA-N
SMILES O1[C@@](CCC=2C1=C(C(=C(O)C2)C)C)(CC/C=C(/CC/C=C(\C)/C(O)=O)\C)C
ChEBI Ontology
Outgoing 9'-Carboxy-gamma-tocotrienol (CHEBI:174955) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2E,6E)-9-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2,6-dienoic acid
Manual Xrefs Databases
30776659 ChemSpider
HMDB0012869 HMDB
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