| Properties | Image |
|---|
| MNX_ID | MNXM41977 |
 |
| reference | keggD:D02927 |
| formula | C58H91N13O20 |
| global charge | 0 |
| mol weight | 1290.437 |
| InChIKey | AQZKCOXFXDOYRA-WYMLVPIESA-N |
| InChI | InChI=1S/C58H91N13O20/c1-8-31(4)18-13-11-9-10-12-14-21-40(72)64-36(26-45(79)80)56(89)69(7)39(27-46(81)82)54(87)65-35(25-44(77)78)51(84)60-28-41(73)63-34(24-43(75)76)50(83)61-29-42(74)66-48(32(5)59)55(88)67-47(30(2)3)57(90)71-23-17-20-38(71)53(86)68-49-33(6)62-52(85)37-19-15-16-22-70(37)58(49)91/h12,14,30-39,47-49H,8-11,13,15-29,59H2,1-7H3,(H,60,84)(H,61,83)(H,62,85)(H,63,73)(H,64,72)(H,65,87)(H,66,74)(H,67,88)(H,68,86)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/b14-12+ |
| SMILES | CCC(C)CCCCC/C=C/CC(=O)NC(CC(=O)O)C(=O)N(C)C(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC1C(=O)N2CCCCC2C(=O)NC1C)C(C)C)C(C)N |
MNX internals
| InChI (mnx) | InChI=1/C58H91N13O20/c1-8-31(4)18-13-11-9-10-12-14-21-40(72)64-36(26-45(79)80)56(89)69(7)39(27-46(81)82)54(87)65-35(25-44(77)78)51(84)60-28-41(73)63-34(24-43(75)76)50(83)61-29-42(74)66-48(32(5)59)55(88)67-47(30(2)3)57(90)71-23-17-20-38(71)53(86)68-49-33(6)62-52(85)37-19-15-16-22-70(37)58(49)91/h12,14,30-39,47-49H,8-11,13,15-29,59H2,1-7H3,(H,60,84)(H,61,83)(H,62,85)(H,63,73)(H,64,72)(H,65,87)(H,66,74)(H,67,88)(H,68,86)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/b14-12+/t31?,32?,33?,34?,35?,36?,37?,38?,39?,47?,48?,49? |
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| SMILES (mnx) | [CH3:1][CH2:8][CH:31]([CH3:4])[CH2:18][CH2:13][CH2:11][CH2:9][CH2:10]/[CH:12]=[CH:14]/[CH2:21][C:40](=[N:64][CH:36]([CH2:26][C:45](=[O:79])[OH:80])[C:56]([N:69]([CH3:7])[CH:39]([CH2:27][C:46](=[O:81])[OH:82])[C:54](=[N:65][CH:35]([CH2:25][C:44](=[O:77])[OH:78])[C:51](=[N:60][CH2:28][C:41](=[N:63][CH:34]([CH2:24][C:43](=[O:75])[OH:76])[C:50](=[N:61][CH2:29][C:42](=[N:66][CH:48]([CH:32]([CH3:5])[NH2:59])[C:55](=[N:67][CH:47]([CH:30]([CH3:2])[CH3:3])[C:57]([N:71]1[CH2:23][CH2:17][CH2:20][CH:38]1[C:53](=[N:68][CH:49]1[CH:33]([CH3:6])[N:62]=[C:52]([OH:85])[CH:37]2[CH2:19][CH2:15][CH2:16][CH2:22][N:70]2[C:58]1=[O:91])[OH:86])=[O:90])[OH:88])[OH:74])[OH:83])[OH:73])[OH:84])[OH:87])=[O:89])[OH:72] |
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