| Properties | Image |
|---|
| MNX_ID | MNXM733599 |
 |
| reference | metacycM:CPD-171 |
| formula | C86H142O9P |
| global charge | -1 |
| mol weight | 1351.047 |
| InChIKey | YRJQNWAWJNIMPJ-NWNWEXASSA-M |
| InChI | InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/p-1/b67-35+,68-37+,69-39-,70-41-,71-43-,72-45-,73-47-,74-49-,75-51-,76-53-,77-55-,78-57-,79-59-,80-61-/t81?,82-,83-,84+,85+,86+/m1/s1 |
| SMILES | CC(C)=CCC/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\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)([O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39-,70-41-,71-43-,72-45-,73-47-,74-49-,75-51-,76-53-,77-55-,78-57-,79-59-,80-61-/t81?,82-,83-,84+,85+,86+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:66]([CH3:2])=[CH:33][CH2:18][CH2:34]/[C:67]([CH3:3])=[CH:35]/[CH2:19][CH2:36]/[C:68]([CH3:4])=[CH:37]/[CH2:20][CH2:38]/[C:69]([CH3:5])=[CH:39]\[CH2:21][CH2:40]/[C:70]([CH3:6])=[CH:41]\[CH2:22][CH2:42]/[C:71]([CH3:7])=[CH:43]\[CH2:23][CH2:44]/[C:72]([CH3:8])=[CH:45]\[CH2:24][CH2:46]/[C:73]([CH3:9])=[CH:47]\[CH2:25][CH2:48]/[C:74]([CH3:10])=[CH:49]\[CH2:26][CH2:50]/[C:75]([CH3:11])=[CH:51]\[CH2:27][CH2:52]/[C:76]([CH3:12])=[CH:53]\[CH2:28][CH2:54]/[C:77]([CH3:13])=[CH:55]\[CH2:29][CH2:56]/[C:78]([CH3:14])=[CH:57]\[CH2:30][CH2:58]/[C:79]([CH3:15])=[CH:59]\[CH2:31][CH2:60]/[C:80]([CH3:16])=[CH:61]\[CH2:32][CH2:62][CH:81]([CH3:17])[CH2:63][CH2:64][O:93][P:96]([OH:91])(=[O:92])[O:95][C@H:86]1[C@@H:85]([OH:90])[C@@H:84]([OH:89])[C@H:83]([OH:88])[C@@H:82]([CH2:65][OH:87])[O:94]1 |
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