1.0
2020-04-03 16:40:37 UTC
2020-04-03 16:40:38 UTC
FDB098174
TG(4:0/17:0/15:0)
C39H74O6
639.015
638.548540103
[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
InChI=1S/C39H74O6/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-33-39(42)45-36(34-43-37(40)31-6-3)35-44-38(41)32-29-27-25-23-21-18-16-14-12-10-8-5-2/h36H,4-35H2,1-3H3/t36-/m0/s1
CYIZPZFVFXXNAW-BHVANESWSA-N
average_mass
639.015
mono_mass
638.548540103
smiles
[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
formula
C39H74O6
inchi
InChI=1S/C39H74O6/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-33-39(42)45-36(34-43-37(40)31-6-3)35-44-38(41)32-29-27-25-23-21-18-16-14-12-10-8-5-2/h36H,4-35H2,1-3H3/t36-/m0/s1
inchikey
CYIZPZFVFXXNAW-BHVANESWSA-N
Specdb::MsMs
1323031
Specdb::MsMs
1323032
Specdb::MsMs
1323033
Specdb::MsMs
1437400
Specdb::MsMs
1437401
Specdb::MsMs
1437402
Milk (Cow)
Type 2
specific