| Properties | Image |
|---|
| MNX_ID | MNXM1364671 |
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| reference | keggC:C16156 |
| formula | C61H100NO8P |
| global charge | 0 |
| mol weight | 1006.444 |
| InChIKey | KDTATMYQJZYGGT-CRHUQJHVSA-N |
| InChI | InChI=1S/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h23,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60+,61-/m0/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\COP(=O)(O)O[C@@H]1OC[C@H](NC=O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h23,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60+,61-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:47]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:48]([CH3:3])=[CH:25]/[CH2:14][CH2:26]/[C:49]([CH3:4])=[CH:27]/[CH2:15][CH2:28]/[C:50]([CH3:5])=[CH:29]\[CH2:16][CH2:30]/[C:51]([CH3:6])=[CH:31]\[CH2:17][CH2:32]/[C:52]([CH3:7])=[CH:33]\[CH2:18][CH2:34]/[C:53]([CH3:8])=[CH:35]\[CH2:19][CH2:36]/[C:54]([CH3:9])=[CH:37]\[CH2:20][CH2:38]/[C:55]([CH3:10])=[CH:39]\[CH2:21][CH2:40]/[C:56]([CH3:11])=[CH:41]\[CH2:22][CH2:42]/[C:57]([CH3:12])=[CH:43]\[CH2:44][O:69][P:71]([OH:66])(=[O:67])[O:70][C@H:61]1[C@H:60]([OH:65])[C@@H:59]([OH:64])[C@@H:58]([N:62]=[CH:46][OH:63])[CH2:45][O:68]1 |
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