| Properties | Image |
|---|
| MNX_ID | MNXM161371 |
 |
| reference | chebi:9364 |
| formula | C51H34N6Na6O23S6 |
| global charge | 0 |
| mol weight | 1429.194 |
| InChIKey | VAPNKLKDKUDFHK-UHFFFAOYSA-H |
| InChI | InChI=1S/C51H40N6O23S6.6Na/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80;;;;;;/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1/p-6 |
| SMILES | CC1=CC=C(C(=O)NC2=CC=C(S(=O)(=O)[O-])C3=C2C(S(=O)(=O)[O-])=CC(S(=O)(=O)[O-])=C3)C=C1NC(=O)C1=CC(NC(=O)NC2=CC=CC(C(=O)NC3=CC(C(=O)NC4=CC=C(S(=O)(=O)[O-])C5=C4C(S(=O)(=O)[O-])=CC(S(=O)(=O)[O-])=C5)=CC=C3C)=C2)=CC=C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C51H40N6O23S6.6Na/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80;;;;;;/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1=[C:39]([N:56]=[C:47]([C:27]2=[CH:17][C:31]([N:52]=[C:51]([NH:53][C:32]3=[CH:8][CH:4]=[CH:6][C:28]([C:48](=[N:57][C:40]4=[C:26]([CH3:2])[CH:10]=[CH:12][C:30]([C:50](=[N:55][C:38]5=[C:46]6[C:36](=[C:42]([S:84]([OH:72])(=[O:73])=[O:74])[CH:16]=[CH:14]5)[CH:22]=[C:34]([S:82]([OH:66])(=[O:67])=[O:68])[CH:24]=[C:44]6[S:86]([OH:78])(=[O:79])=[O:80])[OH:61])=[CH:20]4)[OH:59])=[CH:18]3)[OH:62])=[CH:7][CH:3]=[CH:5]2)[OH:58])[CH:19]=[C:29]([C:49](=[N:54][C:37]2=[C:45]3[C:35](=[C:41]([S:83]([OH:69])(=[O:70])=[O:71])[CH:15]=[CH:13]2)[CH:21]=[C:33]([S:81]([OH:63])(=[O:64])=[O:65])[CH:23]=[C:43]3[S:85]([OH:75])(=[O:76])=[O:77])[OH:60])[CH:11]=[CH:9]1.[Na+:87].[Na+:88].[Na+:89].[Na+:90].[Na+:91].[Na+:92] |
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