| Properties | Image |
|---|
| MNX_ID | MNXM119279 |
 |
| reference | hmdb:HMDB0031940 |
| formula | C60H98O |
| global charge | 0 |
| mol weight | 835.443 |
| InChIKey | BDMCAOBQLHJGBE-IMJPMKAYSA-N |
| InChI | InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41-,58-43-,59-45+,60-47+ |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CO |
MNX internals
| InChI (mnx) | InChI=1/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41-,58-43-,59-45+,60-47+ |
 |
| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:25][CH2:14][CH2:26]/[C:50]([CH3:3])=[CH:27]/[CH2:15][CH2:28]/[C:51]([CH3:4])=[CH:29]/[CH2:16][CH2:30]/[C:52]([CH3:5])=[CH:31]/[CH2:17][CH2:32]/[C:53]([CH3:6])=[CH:33]/[CH2:18][CH2:34]/[C:54]([CH3:7])=[CH:35]/[CH2:19][CH2:36]/[C:55]([CH3:8])=[CH:37]/[CH2:20][CH2:38]/[C:56]([CH3:9])=[CH:39]/[CH2:21][CH2:40]/[C:57]([CH3:10])=[CH:41]\[CH2:22][CH2:42]/[C:58]([CH3:11])=[CH:43]\[CH2:23][CH2:44]/[C:59]([CH3:12])=[CH:45]/[CH2:24][CH2:46]/[C:60]([CH3:13])=[CH:47]/[CH2:48][OH:61] |
|