| Properties | Image |
|---|
| MNX_ID | MNXM1190828 |
 |
| reference | envipathM:...81fd3fab7289 |
| formula | C33H32N4O10 |
| global charge | 0 |
| mol weight | 644.637 |
| InChIKey | FHZAMZQDEZMIMR-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H32N4O10/c34-22-7-3-20(4-8-22)29(41)21-5-11-24(12-6-21)36-32(44)47-17-25(39)13-14-46-33(45)37-27-16-28(40)26(30(42)31(27)43)15-19-1-9-23(10-2-19)35-18-38/h1-12,16,25,29,39-43H,13-15,17,34H2,(H,36,44)(H,37,45) |
| SMILES | NC1=CC=C(C(O)C2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=C(O)C(O)=C(CC4=CC=C(N=C=O)C=C4)C(O)=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H32N4O10/c34-22-7-3-20(4-8-22)29(41)21-5-11-24(12-6-21)36-32(44)47-17-25(39)13-14-46-33(45)37-27-16-28(40)26(30(42)31(27)43)15-19-1-9-23(10-2-19)35-18-38/h1-12,16,25,29,39-43H,13-15,17,34H2,(H,36,44)(H,37,45)/t25?,29? |
 |
| SMILES (mnx) | [CH:1]1=[CH:9][C:23]([N:35]=[C:18]=[O:38])=[CH:10][CH:2]=[C:19]1[CH2:15][C:26]1=[C:28]([OH:40])[CH:16]=[C:27]([N:37]=[C:33]([OH:45])[O:46][CH2:14][CH2:13][CH:25]([CH2:17][O:47][C:32]([NH:36][C:24]2=[CH:12][CH:6]=[C:21]([CH:29]([C:20]3=[CH:4][CH:8]=[C:22]([NH2:34])[CH:7]=[CH:3]3)[OH:41])[CH:5]=[CH:11]2)=[O:44])[OH:39])[C:31]([OH:43])=[C:30]1[OH:42] |
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