1.0
2020-04-03 16:40:16 UTC
2020-04-03 16:40:18 UTC
FDB098171
TG(4:0/15:0/16:0)
C38H72O6
624.988
624.532890038
[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChI=1S/C38H72O6/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-31-37(40)43-34-35(33-42-36(39)30-6-3)44-38(41)32-29-27-25-23-20-18-16-14-12-10-8-5-2/h35H,4-34H2,1-3H3/t35-/m0/s1
PCDSPVRPORJHDW-DHUJRADRSA-N
average_mass
624.988
mono_mass
624.532890038
smiles
[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
formula
C38H72O6
inchi
InChI=1S/C38H72O6/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-31-37(40)43-34-35(33-42-36(39)30-6-3)44-38(41)32-29-27-25-23-20-18-16-14-12-10-8-5-2/h35H,4-34H2,1-3H3/t35-/m0/s1
inchikey
PCDSPVRPORJHDW-DHUJRADRSA-N
Specdb::MsMs
1227421
Specdb::MsMs
1227422
Specdb::MsMs
1227423
Specdb::MsMs
1343017
Specdb::MsMs
1343018
Specdb::MsMs
1343019
Milk (Cow)
Type 2
specific