| Properties | Image |
|---|
| MNX_ID | MNXM21578 |
 |
| reference | metacycM:CPD-9613 |
| formula | C58H89NO3 |
| global charge | 0 |
| mol weight | 848.354 |
| InChIKey | WDVDSFZLRFLVJT-AVRCVIBKSA-N |
| InChI | InChI=1S/C58H89NO3/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)56(60)55(59)58(62-13)57(54)61/h23,25,27,29,31,33,35,37,39,41H,14-22,24,26,28,30,32,34,36,38,40,42,59H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+ |
| SMILES | COC1=C(N)C(=O)C(C)=C(C/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)CCC=C(C)C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C58H89NO3/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)56(60)55(59)58(62-13)57(54)61/h23,25,27,29,31,33,35,37,39,41H,14-22,24,26,28,30,32,34,36,38,40,42,59H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+ |
 |
| SMILES (mnx) | [CH3:1][C:43]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:44]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:45]([CH3:4])=[CH:27]/[CH2:16][CH2:28]/[C:46]([CH3:5])=[CH:29]/[CH2:17][CH2:30]/[C:47]([CH3:6])=[CH:31]/[CH2:18][CH2:32]/[C:48]([CH3:7])=[CH:33]/[CH2:19][CH2:34]/[C:49]([CH3:8])=[CH:35]/[CH2:20][CH2:36]/[C:50]([CH3:9])=[CH:37]/[CH2:21][CH2:38]/[C:51]([CH3:10])=[CH:39]/[CH2:22][CH2:40]/[C:52]([CH3:11])=[CH:41]/[CH2:42][C:54]1=[C:53]([CH3:12])[C:56](=[O:60])[C:55]([NH2:59])=[C:58]([O:62][CH3:13])[C:57]1=[O:61] |
|