α-tocotrienol
Chemical Formula:
C29H44O2
Molecular Weight:
424.665 Daltons
Monoisotopic Mass:
424.3341306566 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=C(C(=C(C=2C)C)O)C)))C)C)C
InChI:
1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15836
KEGG:
C14153
PubChem (CID):
5282347
ChEBI:
33270
MetaboLights:
MTBLC33270
HMDB:
HMDB06327
RefMet:
alpha-Tocotrienol
Seed:
cpd09852
MetaNetX:
MNXM10684