| Properties | Image |
|---|
| MNX_ID | MNXM1132771 |
 |
| reference | metacycM:CPD-24155 |
| formula | C92H148NO37P2 |
| global charge | -3 |
| mol weight | 1922.114 |
| InChIKey | UXFIBSSPVHSDKU-QMQBKLQHSA-K |
| InChI | InChI=1S/C92H151NO37P2/c1-51(2)24-14-25-52(3)26-15-27-53(4)28-16-29-54(5)30-17-31-55(6)32-18-33-56(7)34-19-35-57(8)36-20-37-58(9)38-21-39-59(10)40-22-41-60(11)42-23-43-61(12)44-45-118-131(113,114)130-132(115,116)129-87-68(93-62(13)98)82(72(102)65(48-96)119-87)125-92-84(74(104)69(99)63(46-94)121-92)127-90-78(108)73(103)71(101)67(123-90)50-117-88-79(109)75(105)81(66(49-97)122-88)124-91-80(110)76(106)83(85(128-91)86(111)112)126-89-77(107)70(100)64(47-95)120-89/h24,26,28,30,32,34,36,38,40,42,44,63-85,87-92,94-97,99-110H,14-23,25,27,29,31,33,35,37,39,41,43,45-50H2,1-13H3,(H,93,98)(H,111,112)(H,113,114)(H,115,116)/p-3/b52-26+,53-28+,54-30-,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73+,74+,75-,76-,77-,78+,79-,80-,81+,82-,83+,84+,85+,87-,88+,89-,90-,91-,92-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C92H151NO37P2/c1-51(2)24-14-25-52(3)26-15-27-53(4)28-16-29-54(5)30-17-31-55(6)32-18-33-56(7)34-19-35-57(8)36-20-37-58(9)38-21-39-59(10)40-22-41-60(11)42-23-43-61(12)44-45-118-131(113,114)130-132(115,116)129-87-68(93-62(13)98)82(72(102)65(48-96)119-87)125-92-84(74(104)69(99)63(46-94)121-92)127-90-78(108)73(103)71(101)67(123-90)50-117-88-79(109)75(105)81(66(49-97)122-88)124-91-80(110)76(106)83(85(128-91)86(111)112)126-89-77(107)70(100)64(47-95)120-89/h24,26,28,30,32,34,36,38,40,42,44,63-85,87-92,94-97,99-110H,14-23,25,27,29,31,33,35,37,39,41,43,45-50H2,1-13H3,(H,93,98)(H,111,112)(H,113,114)(H,115,116)/b52-26+,53-28+,54-30-,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73+,74+,75-,76-,77-,78+,79-,80-,81+,82-,83+,84+,85+,87-,88+,89-,90-,91-,92-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:51]([CH3:2])=[CH:24][CH2:14][CH2:25]/[C:52]([CH3:3])=[CH:26]/[CH2:15][CH2:27]/[C:53]([CH3:4])=[CH:28]/[CH2:16][CH2:29]/[C:54]([CH3:5])=[CH:30]\[CH2:17][CH2:31]/[C:55]([CH3:6])=[CH:32]\[CH2:18][CH2:33]/[C:56]([CH3:7])=[CH:34]\[CH2:19][CH2:35]/[C:57]([CH3:8])=[CH:36]\[CH2:20][CH2:37]/[C:58]([CH3:9])=[CH:38]\[CH2:21][CH2:39]/[C:59]([CH3:10])=[CH:40]\[CH2:22][CH2:41]/[C:60]([CH3:11])=[CH:42]\[CH2:23][CH2:43]/[C:61]([CH3:12])=[CH:44]\[CH2:45][O:118][P:131]([OH:113])(=[O:114])[O:130][P:132]([OH:115])(=[O:116])[O:129][C@@H:87]1[C@H:68]([N:93]=[C:62]([CH3:13])[OH:98])[C@@H:82]([O:125][C@@H:92]2[C@@H:84]([O:127][C@@H:90]3[C@@H:78]([OH:108])[C@@H:73]([OH:103])[C@H:71]([OH:101])[C@@H:67]([CH2:50][O:117][C@@H:88]4[C@H:79]([OH:109])[C@@H:75]([OH:105])[C@@H:81]([O:124][C@H:91]5[C@H:80]([OH:110])[C@@H:76]([OH:106])[C@H:83]([O:126][C@@H:89]6[C@H:77]([OH:107])[C@H:70]([OH:100])[C@@H:64]([CH2:47][OH:95])[O:120]6)[C@@H:85]([C:86](=[O:111])[OH:112])[O:128]5)[C@@H:66]([CH2:49][OH:97])[O:122]4)[O:123]3)[C@@H:74]([OH:104])[C@H:69]([OH:99])[C@@H:63]([CH2:46][OH:94])[O:121]2)[C@@H:72]([OH:102])[C@@H:65]([CH2:48][OH:96])[O:119]1 |
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