**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

compound 0047592

Properties Image Occurences in reactions MNX_ID MNXM1370365 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C40H42N12O12S2 charge -2 mass 946.968 reference envipathM:...2ba52fe52f55 InChIKey KCVWIGUAQXISLY-VAWYXSNFSA-L InChI InChI=1S/C40H44N12O12S2/c53-19-15-51(16-20-54)39-47-35(41-27-7-3-1-4-8-27)45-37(49-39)43-29-14-13-25(34(33(29)58)66(62,63)64)11-12-26-23-31(57)30(24-32(26)65(59,60)61)44-38-46-36(42-28-9-5-2-6-10-28)48-40(50-38)52(17-21-55)18-22-56/h1-14,23-24,53-58H,15-22H2,(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/p-2/b12-11+ SMILES [cH:1]1[cH:3][cH:7][c:27]([N:41]=[c:35]2[nH:45][c:37](=[N:43][c:29]3[cH:14][cH:13][c:25](/[CH:11]=[CH:12]/[c:26]4[cH:23][c:31]([OH:57])[c:30]([N:44]=[c:38]5[nH:46][c:36](=[N:42][c:28]6[cH:9][cH:5][cH:2][cH:6][cH:10]6)[n:48][c:40]([N:52]([CH2:17][CH2:21][OH:55])[CH2:18][CH2:22][OH:56])[nH:50]5)[cH:24][c:32]4[S:65]([OH:59])(=[O:60])=[O:61])[c:34]([S:66]([OH:62])(=[O:63])=[O:64])[c:33]3[OH:58])[nH:49][c:39]([N:51]([CH2:15][CH2:19][OH:53])[CH2:16][CH2:20][OH:54])[n:47]2)[cH:8][cH:4]1

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Similar chemical compounds in external resources

Identifier	Description
envipath:...2ba52fe52f55 envipathM:...2ba52fe52f55	compound 0047592