| Properties | Image |
|---|
| MNX_ID | MNXM125790 |
 |
| reference | chebi:52081 |
| formula | C28H22K5N3O14 |
| global charge | 0 |
| mol weight | 819.981 |
| InChIKey | ZIBFFCSCYSYOAN-UHFFFAOYSA-I |
| InChI | InChI=1S/C28H27N3O14.5K/c32-23(33)11-30(12-24(34)35)16-3-1-2-4-18(16)42-5-6-43-20-7-15-8-21(27-29-10-22(45-27)28(40)41)44-19(15)9-17(20)31(13-25(36)37)14-26(38)39;;;;;/h1-4,7-9,22H,5-6,10-14H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;;;/q;5*+1/p-5 |
| SMILES | O=C([O-])CN(CC(=O)[O-])C1=C(OCCOC2=C(N(CC(=O)[O-])CC(=O)[O-])C=C3OC(C4=NCC(C(=O)[O-])O4)=CC3=C2)C=CC=C1.[K+].[K+].[K+].[K+].[K+] |
MNX internals
| InChI (mnx) | InChI=1/C28H27N3O14.5K/c32-23(33)11-30(12-24(34)35)16-3-1-2-4-18(16)42-5-6-43-20-7-15-8-21(27-29-10-22(45-27)28(40)41)44-19(15)9-17(20)31(13-25(36)37)14-26(38)39;;;;;/h1-4,7-9,22H,5-6,10-14H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;;;/q;5*+1/t22?;;;;; |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]([O:42][CH2:5][CH2:6][O:43][C:20]2=[C:17]([N:31]([CH2:13][C:25](=[O:36])[OH:37])[CH2:14][C:26](=[O:38])[OH:39])[CH:9]=[C:19]3[C:15](=[CH:7]2)[CH:8]=[C:21]([C:27]2=[N:29][CH2:10][CH:22]([C:28](=[O:40])[OH:41])[O:45]2)[O:44]3)[C:16]([N:30]([CH2:11][C:23](=[O:32])[OH:33])[CH2:12][C:24](=[O:34])[OH:35])=[CH:3]1.[K+:46].[K+:47].[K+:48].[K+:49].[K+:50] |
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