| Properties | Image |
|---|
| MNX_ID | MNXM1364395 |
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| reference | keggC:C20390 |
| formula | C58H97NO12P2 |
| global charge | 0 |
| mol weight | 1062.357 |
| InChIKey | QZCSSLRFYDKWIR-BYWHINGUSA-N |
| InChI | InChI=1S/C58H97NO12P2/c1-43(2)22-13-23-44(3)24-14-25-45(4)26-15-27-46(5)28-16-29-47(6)30-17-31-48(7)32-18-33-49(8)34-19-35-50(9)36-20-37-51(10)38-21-39-52(11)40-41-68-72(64,65)71-73(66,67)70-58-55(59-53(12)61)57(63)56(62)54(42-60)69-58/h22,24,26,28,30,32,34,36,38,40,54-58,60,62-63H,13-21,23,25,27,29,31,33,35,37,39,41-42H2,1-12H3,(H,59,61)(H,64,65)(H,66,67)/b44-24+,45-26-,46-28-,47-30-,48-32-,49-34-,50-36-,51-38-,52-40-/t54-,55-,56-,57-,58-/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)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C58H97NO12P2/c1-43(2)22-13-23-44(3)24-14-25-45(4)26-15-27-46(5)28-16-29-47(6)30-17-31-48(7)32-18-33-49(8)34-19-35-50(9)36-20-37-51(10)38-21-39-52(11)40-41-68-72(64,65)71-73(66,67)70-58-55(59-53(12)61)57(63)56(62)54(42-60)69-58/h22,24,26,28,30,32,34,36,38,40,54-58,60,62-63H,13-21,23,25,27,29,31,33,35,37,39,41-42H2,1-12H3,(H,59,61)(H,64,65)(H,66,67)/b44-24+,45-26-,46-28-,47-30-,48-32-,49-34-,50-36-,51-38-,52-40-/t54-,55-,56-,57-,58-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:43]([CH3:2])=[CH:22][CH2:13][CH2:23]/[C:44]([CH3:3])=[CH:24]/[CH2:14][CH2:25]/[C:45]([CH3:4])=[CH:26]\[CH2:15][CH2:27]/[C:46]([CH3:5])=[CH:28]\[CH2:16][CH2:29]/[C:47]([CH3:6])=[CH:30]\[CH2:17][CH2:31]/[C:48]([CH3:7])=[CH:32]\[CH2:18][CH2:33]/[C:49]([CH3:8])=[CH:34]\[CH2:19][CH2:35]/[C:50]([CH3:9])=[CH:36]\[CH2:20][CH2:37]/[C:51]([CH3:10])=[CH:38]\[CH2:21][CH2:39]/[C:52]([CH3:11])=[CH:40]\[CH2:41][O:68][P:72]([OH:64])(=[O:65])[O:71][P:73]([OH:66])(=[O:67])[O:70][C@@H:58]1[C@H:55]([N:59]=[C:53]([CH3:12])[OH:61])[C@@H:57]([OH:63])[C@H:56]([OH:62])[C@@H:54]([CH2:42][OH:60])[O:69]1 |
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