| Properties | Image |
|---|
| MNX_ID | MNXM1113289 |
 |
| reference | chebi:147532 |
| formula | C140H230N10O102 |
| global charge | 0 |
| mol weight | 3685.348 |
| InChIKey | YGEVEWMKEDPHIX-UVWIXWKESA-N |
| InChI | InChI=1S/C140H230N10O102/c1-34-76(184)93(201)96(204)125(223-34)219-30-54(183)103(77(185)45(16-151)141-35(2)165)236-121-72(147-41(8)171)89(197)106(60(26-161)228-121)239-127-99(207)114(243-132-119(245-124-75(150-44(11)174)92(200)108(62(28-163)231-124)242-130-102(210)117(86(194)57(23-158)226-130)252-140(136(217)218)15-49(178)70(145-39(6)169)113(249-140)81(189)53(182)20-155)98(206)109(63(29-164)232-132)237-122-73(148-42(9)172)90(198)107(61(27-162)229-122)241-129-101(209)116(85(193)56(22-157)225-129)251-139(135(215)216)14-48(177)69(144-38(5)168)112(248-139)80(188)52(181)19-154)87(195)65(233-127)32-221-131-118(244-123-74(149-43(10)173)91(199)105(59(25-160)230-123)238-126-97(205)94(202)82(190)66(234-126)33-222-137(133(211)212)12-46(175)67(142-36(3)166)110(246-137)78(186)50(179)17-152)95(203)83(191)64(235-131)31-220-120-71(146-40(7)170)88(196)104(58(24-159)227-120)240-128-100(208)115(84(192)55(21-156)224-128)250-138(134(213)214)13-47(176)68(143-37(4)167)111(247-138)79(187)51(180)18-153/h34,45-132,151-164,175-210H,12-33H2,1-11H3,(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,145,169)(H,146,170)(H,147,171)(H,148,172)(H,149,173)(H,150,174)(H,211,212)(H,213,214)(H,215,216)(H,217,218)/t34-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82-,83+,84-,85-,86-,87+,88+,89+,90+,91+,92+,93+,94-,95-,96-,97+,98-,99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,124-,125+,126-,127-,128-,129-,130-,131-,132+,137+,138-,139-,140-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C140H230N10O102/c1-34-76(184)93(201)96(204)125(223-34)219-30-54(183)103(77(185)45(16-151)141-35(2)165)236-121-72(147-41(8)171)89(197)106(60(26-161)228-121)239-127-99(207)114(243-132-119(245-124-75(150-44(11)174)92(200)108(62(28-163)231-124)242-130-102(210)117(86(194)57(23-158)226-130)252-140(136(217)218)15-49(178)70(145-39(6)169)113(249-140)81(189)53(182)20-155)98(206)109(63(29-164)232-132)237-122-73(148-42(9)172)90(198)107(61(27-162)229-122)241-129-101(209)116(85(193)56(22-157)225-129)251-139(135(215)216)14-48(177)69(144-38(5)168)112(248-139)80(188)52(181)19-154)87(195)65(233-127)32-221-131-118(244-123-74(149-43(10)173)91(199)105(59(25-160)230-123)238-126-97(205)94(202)82(190)66(234-126)33-222-137(133(211)212)12-46(175)67(142-36(3)166)110(246-137)78(186)50(179)17-152)95(203)83(191)64(235-131)31-220-120-71(146-40(7)170)88(196)104(58(24-159)227-120)240-128-100(208)115(84(192)55(21-156)224-128)250-138(134(213)214)13-47(176)68(143-37(4)167)111(247-138)79(187)51(180)18-153/h34,45-132,151-164,175-210H,12-33H2,1-11H3,(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,145,169)(H,146,170)(H,147,171)(H,148,172)(H,149,173)(H,150,174)(H,211,212)(H,213,214)(H,215,216)(H,217,218)/t34-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82-,83+,84-,85-,86-,87+,88+,89+,90+,91+,92+,93+,94-,95-,96-,97+,98-,99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,124-,125+,126-,127-,128-,129-,130-,131-,132+,137+,138-,139-,140-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:34]1[C@@H:76]([OH:184])[C@@H:93]([OH:201])[C@H:96]([OH:204])[C@H:125]([O:219][CH2:30][C@H:54]([C@H:103]([C@@H:77]([C@H:45]([CH2:16][OH:151])[N:141]=[C:35]([CH3:2])[OH:165])[OH:185])[O:236][C@H:121]2[C@H:72]([N:147]=[C:41]([CH3:8])[OH:171])[C@@H:89]([OH:197])[C@H:106]([O:239][C@H:127]3[C@@H:99]([OH:207])[C@@H:114]([O:243][C@@H:132]4[C@@H:119]([O:245][C@H:124]5[C@H:75]([N:150]=[C:44]([CH3:11])[OH:174])[C@@H:92]([OH:200])[C@H:108]([O:242][C@H:130]6[C@H:102]([OH:210])[C@@H:117]([O:252][C@:140]7([C:136](=[O:217])[OH:218])[CH2:15][C@H:49]([OH:178])[C@@H:70]([N:145]=[C:39]([CH3:6])[OH:169])[C@H:113]([C@@H:81]([C@@H:53]([CH2:20][OH:155])[OH:182])[OH:189])[O:249]7)[C@@H:86]([OH:194])[C@@H:57]([CH2:23][OH:158])[O:226]6)[C@@H:62]([CH2:28][OH:163])[O:231]5)[C@@H:98]([OH:206])[C@H:109]([O:237][C@H:122]5[C@H:73]([N:148]=[C:42]([CH3:9])[OH:172])[C@@H:90]([OH:198])[C@H:107]([O:241][C@H:129]6[C@H:101]([OH:209])[C@@H:116]([O:251][C@:139]7([C:135](=[O:215])[OH:216])[CH2:14][C@H:48]([OH:177])[C@@H:69]([N:144]=[C:38]([CH3:5])[OH:168])[C@H:112]([C@@H:80]([C@@H:52]([CH2:19][OH:154])[OH:181])[OH:188])[O:248]7)[C@@H:85]([OH:193])[C@@H:56]([CH2:22][OH:157])[O:225]6)[C@@H:61]([CH2:27][OH:162])[O:229]5)[C@@H:63]([CH2:29][OH:164])[O:232]4)[C@H:87]([OH:195])[C@@H:65]([CH2:32][O:221][C@@H:131]4[C@@H:118]([O:244][C@H:123]5[C@H:74]([N:149]=[C:43]([CH3:10])[OH:173])[C@@H:91]([OH:199])[C@H:105]([O:238][C@H:126]6[C@H:97]([OH:205])[C@@H:94]([OH:202])[C@@H:82]([OH:190])[C@@H:66]([CH2:33][O:222][C@:137]7([C:133](=[O:211])[OH:212])[CH2:12][C@H:46]([OH:175])[C@@H:67]([N:142]=[C:36]([CH3:3])[OH:166])[C@H:110]([C@@H:78]([C@@H:50]([CH2:17][OH:152])[OH:179])[OH:186])[O:246]7)[O:234]6)[C@@H:59]([CH2:25][OH:160])[O:230]5)[C@@H:95]([OH:203])[C@H:83]([OH:191])[C@@H:64]([CH2:31][O:220][C@H:120]5[C@H:71]([N:146]=[C:40]([CH3:7])[OH:170])[C@@H:88]([OH:196])[C@H:104]([O:240][C@H:128]6[C@H:100]([OH:208])[C@@H:115]([O:250][C@:138]7([C:134](=[O:213])[OH:214])[CH2:13][C@H:47]([OH:176])[C@@H:68]([N:143]=[C:37]([CH3:4])[OH:167])[C@H:111]([C@@H:79]([C@@H:51]([CH2:18][OH:153])[OH:180])[OH:187])[O:247]7)[C@@H:84]([OH:192])[C@@H:55]([CH2:21][OH:156])[O:224]6)[C@@H:58]([CH2:24][OH:159])[O:227]5)[O:235]4)[O:233]3)[C@@H:60]([CH2:26][OH:161])[O:228]2)[OH:183])[O:223]1 |
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