| Properties | Image |
|---|
| MNX_ID | MNXM11130 |
 |
| reference | keggC:C12032 |
| formula | C35H37ClN2O11 |
| global charge | 0 |
| mol weight | 697.137 |
| InChIKey | FJAQNRBDVKIIKK-LFLQOBSNSA-N |
| InChI | InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1 |
| SMILES | CO[C@@H]1[C@@H](OC(=O)C2=CC=C(C)N2)[C@@H](O)[C@H](OC2=CC=C3C(O)=C(NC(=O)C4=CC(CC=C(C)C)=C(O)C=C4)C(=O)OC3=C2Cl)OC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16]([CH3:2])=[CH:7][CH2:9][C:18]1=[C:22]([OH:39])[CH:13]=[CH:10][C:19]([C:31]([NH:38][C:25]2=[C:26]([OH:40])[C:20]3=[C:28]([C:24]([Cl:36])=[C:23]([O:46][C@H:34]4[C@H:27]([OH:41])[C@H:29]([O:48][C:32]([C:21]5=[CH:12][CH:8]=[C:17]([CH3:3])[NH:37]5)=[O:43])[C@@H:30]([O:45][CH3:6])[C:35]([CH3:4])([CH3:5])[O:49]4)[CH:14]=[CH:11]3)[O:47][C:33]2=[O:44])=[O:42])=[CH:15]1 |
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