| Properties | Image |
|---|
| MNX_ID | MNXM1137712 |
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| reference | biggM:eca4und |
| formula | C151H234N12O67P2 |
| global charge | -6 |
| mol weight | 3351.498 |
| InChIKey | FWMHOCJQWPJMQV-UHFFFAOYSA-H |
| InChI | InChI=1S/C151H240N12O67P2/c1-65(2)39-29-40-66(3)41-30-42-67(4)43-31-44-68(5)45-32-46-69(6)47-33-48-70(7)49-34-50-71(8)51-35-52-72(9)53-36-54-73(10)55-37-56-74(11)57-38-58-75(12)59-60-205-231(201,202)230-232(203,204)229-147-107(163-91(28)179)112(184)124(95(64-167)213-147)217-146-106(162-90(27)178)116(188)131(135(228-146)139(199)200)224-151-120(192)127(99(79(16)209-151)155-83(20)171)220-142-102(158-86(23)174)111(183)123(94(63-166)212-142)216-145-105(161-89(26)177)115(187)130(134(227-145)138(197)198)223-150-119(191)126(98(78(15)208-150)154-82(19)170)219-141-101(157-85(22)173)110(182)122(93(62-165)211-141)215-144-104(160-88(25)176)114(186)129(133(226-144)137(195)196)222-149-118(190)125(97(77(14)207-149)153-81(18)169)218-140-100(156-84(21)172)109(181)121(92(61-164)210-140)214-143-103(159-87(24)175)113(185)128(132(225-143)136(193)194)221-148-117(189)108(180)96(76(13)206-148)152-80(17)168/h39,41,43,45,47,49,51,53,55,57,59,76-79,92-135,140-151,164-167,180-192H,29-38,40,42,44,46,48,50,52,54,56,58,60-64H2,1-28H3,(H,152,168)(H,153,169)(H,154,170)(H,155,171)(H,156,172)(H,157,173)(H,158,174)(H,159,175)(H,160,176)(H,161,177)(H,162,178)(H,163,179)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)/p-6 |
| SMILES | CC(=O)NC1C(C)OC(OC2C(C(=O)[O-])OC(OC3C(CO)OC(OC4C(O)C(OC5C(C(=O)[O-])OC(OC6C(CO)OC(OC7C(O)C(OC8C(C(=O)[O-])OC(OC9C(CO)OC(OC%10C(O)C(OC%11C(C(=O)[O-])OC(OC%12C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(NC(C)=O)C%12O)C(NC(C)=O)C%11O)OC(C)C%10NC(C)=O)C(NC(C)=O)C9O)C(NC(C)=O)C8O)OC(C)C7NC(C)=O)C(NC(C)=O)C6O)C(NC(C)=O)C5O)OC(C)C4NC(C)=O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C151H240N12O67P2/c1-65(2)39-29-40-66(3)41-30-42-67(4)43-31-44-68(5)45-32-46-69(6)47-33-48-70(7)49-34-50-71(8)51-35-52-72(9)53-36-54-73(10)55-37-56-74(11)57-38-58-75(12)59-60-205-231(201,202)230-232(203,204)229-147-107(163-91(28)179)112(184)124(95(64-167)213-147)217-146-106(162-90(27)178)116(188)131(135(228-146)139(199)200)224-151-120(192)127(99(79(16)209-151)155-83(20)171)220-142-102(158-86(23)174)111(183)123(94(63-166)212-142)216-145-105(161-89(26)177)115(187)130(134(227-145)138(197)198)223-150-119(191)126(98(78(15)208-150)154-82(19)170)219-141-101(157-85(22)173)110(182)122(93(62-165)211-141)215-144-104(160-88(25)176)114(186)129(133(226-144)137(195)196)222-149-118(190)125(97(77(14)207-149)153-81(18)169)218-140-100(156-84(21)172)109(181)121(92(61-164)210-140)214-143-103(159-87(24)175)113(185)128(132(225-143)136(193)194)221-148-117(189)108(180)96(76(13)206-148)152-80(17)168/h39,41,43,45,47,49,51,53,55,57,59,76-79,92-135,140-151,164-167,180-192H,29-38,40,42,44,46,48,50,52,54,56,58,60-64H2,1-28H3,(H,152,168)(H,153,169)(H,154,170)(H,155,171)(H,156,172)(H,157,173)(H,158,174)(H,159,175)(H,160,176)(H,161,177)(H,162,178)(H,163,179)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)/b66-41?,67-43?,68-45?,69-47?,70-49?,71-51?,72-53?,73-55?,74-57?,75-59?/t76?,77?,78?,79?,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?,133?,134?,135?,140?,141?,142?,143?,144?,145?,146?,147?,148?,149?,150?,151? |
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| SMILES (mnx) | [CH3:1][C:65]([CH3:2])=[CH:39][CH2:29][CH2:40][C:66]([CH3:3])=[CH:41][CH2:30][CH2:42][C:67]([CH3:4])=[CH:43][CH2:31][CH2:44][C:68]([CH3:5])=[CH:45][CH2:32][CH2:46][C:69]([CH3:6])=[CH:47][CH2:33][CH2:48][C:70]([CH3:7])=[CH:49][CH2:34][CH2:50][C:71]([CH3:8])=[CH:51][CH2:35][CH2:52][C:72]([CH3:9])=[CH:53][CH2:36][CH2:54][C:73]([CH3:10])=[CH:55][CH2:37][CH2:56][C:74]([CH3:11])=[CH:57][CH2:38][CH2:58][C:75]([CH3:12])=[CH:59][CH2:60][O:205][P:231]([OH:201])(=[O:202])[O:230][P:232]([OH:203])(=[O:204])[O:229][CH:147]1[CH:107]([N:163]=[C:91]([CH3:28])[OH:179])[CH:112]([OH:184])[CH:124]([O:217][CH:146]2[CH:106]([N:162]=[C:90]([CH3:27])[OH:178])[CH:116]([OH:188])[CH:131]([O:224][CH:151]3[CH:120]([OH:192])[CH:127]([O:220][CH:142]4[CH:102]([N:158]=[C:86]([CH3:23])[OH:174])[CH:111]([OH:183])[CH:123]([O:216][CH:145]5[CH:105]([N:161]=[C:89]([CH3:26])[OH:177])[CH:115]([OH:187])[CH:130]([O:223][CH:150]6[CH:119]([OH:191])[CH:126]([O:219][CH:141]7[CH:101]([N:157]=[C:85]([CH3:22])[OH:173])[CH:110]([OH:182])[CH:122]([O:215][CH:144]8[CH:104]([N:160]=[C:88]([CH3:25])[OH:176])[CH:114]([OH:186])[CH:129]([O:222][CH:149]9[CH:118]([OH:190])[CH:125]([O:218][CH:140]%10[CH:100]([N:156]=[C:84]([CH3:21])[OH:172])[CH:109]([OH:181])[CH:121]([O:214][CH:143]%11[CH:103]([N:159]=[C:87]([CH3:24])[OH:175])[CH:113]([OH:185])[CH:128]([O:221][CH:148]%12[CH:117]([OH:189])[CH:108]([OH:180])[CH:96]([N:152]=[C:80]([CH3:17])[OH:168])[CH:76]([CH3:13])[O:206]%12)[CH:132]([C:136](=[O:193])[OH:194])[O:225]%11)[CH:92]([CH2:61][OH:164])[O:210]%10)[CH:97]([N:153]=[C:81]([CH3:18])[OH:169])[CH:77]([CH3:14])[O:207]9)[CH:133]([C:137](=[O:195])[OH:196])[O:226]8)[CH:93]([CH2:62][OH:165])[O:211]7)[CH:98]([N:154]=[C:82]([CH3:19])[OH:170])[CH:78]([CH3:15])[O:208]6)[CH:134]([C:138](=[O:197])[OH:198])[O:227]5)[CH:94]([CH2:63][OH:166])[O:212]4)[CH:99]([N:155]=[C:83]([CH3:20])[OH:171])[CH:79]([CH3:16])[O:209]3)[CH:135]([C:139](=[O:199])[OH:200])[O:228]2)[CH:95]([CH2:64][OH:167])[O:213]1 |
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