| Properties | Image |
|---|
| MNX_ID | MNXM1368522 |
 |
| reference | chebi:142731 |
| formula | C43H56N4O13 |
| global charge | -2 |
| mol weight | 836.936 |
| InChIKey | ABIUUBSHMGGSQA-OKVYCZLSSA-L |
| InChI | InChI=1S/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-51,53H,15-18H2,1-10H3,(H2,44,56)/p-2/b12-11+,19-14+,22-13-,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1 |
| SMILES | CO[C@@H](/C=C/O[C@@]1(C)OC2=C(C1=O)C1=C(C(=O)C([O-])=C(/C=N/N3CCN(C)CC3)C1=O)C([O-])=C2C)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-51,53H,15-18H2,1-10H3,(H2,44,56)/b12-11+,19-14+,22-13-,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21](/[CH:12]=[CH:11]/[CH:13]=[C:22](/[CH3:2])[C:42](=[NH:44])[OH:56])[C@@H:33]([C@@H:24]([CH3:4])[C@H:34]([C@@H:25]([CH3:5])[C@@H:39]([C@H:23]([CH3:3])[C@H:29](/[CH:14]=[CH:19]/[O:58][C@:43]1([CH3:8])[C:41](=[O:55])[C:32]2=[C:40]([C:26]([CH3:6])=[C:35]([OH:51])[C:31]3=[C:30]2[C:36](=[O:52])[C:28](/[CH:20]=[N:45]/[N:47]2[CH2:17][CH2:15][N:46]([CH3:9])[CH2:16][CH2:18]2)=[C:37]([OH:53])[C:38]3=[O:54])[O:60]1)[O:57][CH3:10])[O:59][C:27]([CH3:7])=[O:48])[OH:50])[OH:49] |
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