| Properties | Image |
|---|
| MNX_ID | MNXM104215 |
 |
| reference | chebi:65720 |
| formula | C37H48N2O8 |
| global charge | 0 |
| mol weight | 648.797 |
| InChIKey | HNVKTRONBDHSPT-QETCNUOWSA-N |
| InChI | InChI=1S/C37H48N2O8/c1-24-13-12-16-27-21-28(40)22-30(34(27)43)38-32(41)23-29(46-3)17-10-5-4-6-11-18-31(25(2)33(24)42)47-36(45)37(19-20-37)39-35(44)26-14-8-7-9-15-26/h4-6,10-11,13-14,17,21-22,25,29,31,33,40,42-43H,7-9,12,15-16,18-20,23H2,1-3H3,(H,38,41)(H,39,44)/b5-4+,11-6+,17-10+,24-13-/t25-,29-,31-,33-/m0/s1 |
| SMILES | CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCC2=C(O)C(=CC(O)=C2)NC(=O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C37H48N2O8/c1-24-13-12-16-27-21-28(40)22-30(34(27)43)38-32(41)23-29(46-3)17-10-5-4-6-11-18-31(25(2)33(24)42)47-36(45)37(19-20-37)39-35(44)26-14-8-7-9-15-26/h4-6,10-11,13-14,17,21-22,25,29,31,33,40,42-43H,7-9,12,15-16,18-20,23H2,1-3H3,(H,38,41)(H,39,44)/b5-4+,11-6+,17-10+,24-13-/t25-,29-,31-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:24]1=[CH:13]/[CH2:12][CH2:16][C:27]2=[C:34]([OH:43])[C:30](=[CH:22][C:28]([OH:40])=[CH:21]2)[N:38]=[C:32]([OH:41])[CH2:23][C@@H:29]([O:46][CH3:3])/[CH:17]=[CH:10]/[CH:5]=[CH:4]/[CH:6]=[CH:11]/[CH2:18][C@H:31]([O:47][C:36]([C:37]2([N:39]=[C:35]([C:26]3=[CH:14][CH2:8][CH2:7][CH2:9][CH2:15]3)[OH:44])[CH2:19][CH2:20]2)=[O:45])[C@H:25]([CH3:2])[C@H:33]1[OH:42] |
|