| Properties | Image |
|---|
| MNX_ID | MNXM157121 |
 |
| reference | chebi:77757 |
| formula | C40H58N2O7 |
| global charge | 0 |
| mol weight | 678.911 |
| InChIKey | FAVMTJDTJCBNEZ-MDFWTKNVSA-N |
| InChI | InChI=1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13-,31-25+,32-21+,34-23+/t30-,33+,35-,36+,37+,39+/m1/s1 |
| SMILES | CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13-,31-25+,32-21+,34-23+/t30-,33+,35-,36+,37+,39+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:29]1=[CH:13]/[CH2:11][CH2:17][C@H:35]([O:47][CH3:7])/[CH:16]=[CH:10]/[CH:9]=[CH:15]/[C@H:33]([CH3:5])[C@@H:39](/[C:34]([CH3:6])=[CH:23]/[CH:21]=[C:32](\[CH3:4])[CH2:26][N:41]=[C:40]([C@H:37]([CH2:27][OH:43])[N:42]=[CH:28][OH:44])[OH:46])[O:49][C:38](=[O:45])/[CH:24]=[CH:22]/[C@H:30]([CH3:2])/[CH:19]=[CH:20]/[C:31]([CH3:3])=[CH:25]/[C@@H:36]([O:48][CH3:8])[CH2:18]\[CH:12]=[CH:14]\1 |
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