1.0
2010-04-08 22:11:00 UTC
2018-05-29 01:08:54 UTC
FDB013962
cis-Methylbixin
Constituent of Bixa orellana (annatto)
(9Z)-6-Methylbixin
(9Z)-Methylbixin
9-cis-6,6'-Diapo-psi,psi-carotenedioic acid dimethyl ester
cis-Methylbixin
Methyl bixin
Natural methylbixin
C26H32O4
408.5299
408.230059512
201996-34-1
COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC
InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15-,24-16+
UNTSJRBZLAUZBX-VFXGIBKTSA-N
melting_point
Mp 164°
average_mass
408.5299
mono_mass
408.230059512
smiles
COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC
formula
C26H32O4
inchi
InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15-,24-16+
inchikey
UNTSJRBZLAUZBX-VFXGIBKTSA-N
Specdb::CMs
26313
Specdb::CMs
172540
Specdb::MsMs
63171
Specdb::MsMs
63172
Specdb::MsMs
63173
Specdb::MsMs
120084
Specdb::MsMs
120085
Specdb::MsMs
120086
Specdb::MsMs
2439658
Specdb::MsMs
2439659
Specdb::MsMs
2439660
Specdb::MsMs
2522997
Specdb::MsMs
2522998
Specdb::MsMs
2522999
HMDB32021
#<Reference:0x00005556762c5ca0>