| Properties | Image |
|---|
| MNX_ID | MNXM1196084 |
 |
| reference | envipathM:...fa6790d4f299 |
| formula | C34H32N4O12 |
| global charge | -2 |
| mol weight | 688.646 |
| InChIKey | XUZIULBPBPVGTQ-UHFFFAOYSA-L |
| InChI | InChI=1S/C34H34N4O12/c39-26-18-22(29(41)30(42)27(26)38-32(45)46)17-19-3-9-24(10-4-19)36-33(47)49-15-1-2-16-50-34(48)37-25-13-7-21(8-14-25)28(40)20-5-11-23(12-6-20)35-31(43)44/h3-14,18,28,35,38-42H,1-2,15-17H2,(H,36,47)(H,37,48)(H,43,44)(H,45,46)/p-2 |
| SMILES | O=C([O-])NC1=CC=C(C(O)C2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(CC4=C(O)C(O)=C(NC(=O)[O-])C(O)=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H34N4O12/c39-26-18-22(29(41)30(42)27(26)38-32(45)46)17-19-3-9-24(10-4-19)36-33(47)49-15-1-2-16-50-34(48)37-25-13-7-21(8-14-25)28(40)20-5-11-23(12-6-20)35-31(43)44/h3-14,18,28,35,38-42H,1-2,15-17H2,(H,36,47)(H,37,48)(H,43,44)(H,45,46)/t28? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:50][C:34]([NH:37][C:25]1=[CH:14][CH:8]=[C:21]([CH:28]([C:20]2=[CH:6][CH:12]=[C:23]([NH:35][C:31](=[O:43])[OH:44])[CH:11]=[CH:5]2)[OH:40])[CH:7]=[CH:13]1)=[O:48])[CH2:15][O:49][C:33]([NH:36][C:24]1=[CH:10][CH:4]=[C:19]([CH2:17][C:22]2=[CH:18][C:26]([OH:39])=[C:27]([NH:38][C:32](=[O:45])[OH:46])[C:30]([OH:42])=[C:29]2[OH:41])[CH:3]=[CH:9]1)=[O:47] |
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