| Properties | Image |
|---|
| MNX_ID | MNXM744612 |
 |
| reference | biggM:am1cglc |
| formula | C68H119N11O19 |
| global charge | 0 |
| mol weight | 1394.758 |
| InChIKey | OJYWYSNQBNRFOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C68H119N11O19/c1-24-43-62(89)73(17)32-48(80)74(18)44(27-33(2)3)59(86)72-49(37(10)11)65(92)75(19)45(28-34(4)5)58(85)69-40(15)57(84)70-41(16)61(88)76(20)46(29-35(6)7)63(90)77(21)47(30-36(8)9)64(91)78(22)50(38(12)13)66(93)79(23)51(60(87)71-43)55-39(14)31-42(97-55)25-26-96-68-54(83)52(81)53(82)56(98-68)67(94)95/h33-47,49-56,68,81-83H,24-32H2,1-23H3,(H,69,85)(H,70,84)(H,71,87)(H,72,86)(H,94,95) |
| SMILES | CCC1NC(=O)C(C2OC(CCOC3OC(C(=O)O)C(O)C(O)C3O)CC2C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C68H119N11O19/c1-24-43-62(89)73(17)32-48(80)74(18)44(27-33(2)3)59(86)72-49(37(10)11)65(92)75(19)45(28-34(4)5)58(85)69-40(15)57(84)70-41(16)61(88)76(20)46(29-35(6)7)63(90)77(21)47(30-36(8)9)64(91)78(22)50(38(12)13)66(93)79(23)51(60(87)71-43)55-39(14)31-42(97-55)25-26-96-68-54(83)52(81)53(82)56(98-68)67(94)95/h33-47,49-56,68,81-83H,24-32H2,1-23H3,(H,69,85)(H,70,84)(H,71,87)(H,72,86)(H,94,95)/t39?,40?,41?,42?,43?,44?,45?,46?,47?,49?,50?,51?,52?,53?,54?,55?,56?,68? |
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| SMILES (mnx) | [CH3:1][CH2:24][CH:43]1[C:62](=[O:89])[N:73]([CH3:17])[CH2:32][C:48](=[O:80])[N:74]([CH3:18])[CH:44]([CH2:27][CH:33]([CH3:2])[CH3:3])[C:59]([OH:86])=[N:72][CH:49]([CH:37]([CH3:10])[CH3:11])[C:65](=[O:92])[N:75]([CH3:19])[CH:45]([CH2:28][CH:34]([CH3:4])[CH3:5])[C:58]([OH:85])=[N:69][CH:40]([CH3:15])[C:57]([OH:84])=[N:70][CH:41]([CH3:16])[C:61](=[O:88])[N:76]([CH3:20])[CH:46]([CH2:29][CH:35]([CH3:6])[CH3:7])[C:63](=[O:90])[N:77]([CH3:21])[CH:47]([CH2:30][CH:36]([CH3:8])[CH3:9])[C:64](=[O:91])[N:78]([CH3:22])[CH:50]([CH:38]([CH3:12])[CH3:13])[C:66](=[O:93])[N:79]([CH3:23])[CH:51]([CH:55]2[CH:39]([CH3:14])[CH2:31][CH:42]([CH2:25][CH2:26][O:96][CH:68]3[CH:54]([OH:83])[CH:52]([OH:81])[CH:53]([OH:82])[CH:56]([C:67](=[O:94])[OH:95])[O:98]3)[O:97]2)[C:60]([OH:87])=[N:71]1 |
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