| Properties | Image |
|---|
| MNX_ID | MNXM90891 |
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| reference | biggM:uLa4n |
| formula | C60H100NO7P |
| global charge | 0 |
| mol weight | 978.434 |
| InChIKey | BAFPKKRTAQMYMS-UHFFFAOYSA-N |
| InChI | InChI=1S/C60H100NO7P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-67-69(64,65)68-60-59(63)58(62)57(61)45-66-60/h23,25,27,29,31,33,35,37,39,41,43,57-60,62-63H,13-22,24,26,28,30,32,34,36,38,40,42,44-45,61H2,1-12H3,(H,64,65) |
| SMILES | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OC1OCC([NH3+])C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C60H100NO7P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-67-69(64,65)68-60-59(63)58(62)57(61)45-66-60/h23,25,27,29,31,33,35,37,39,41,43,57-60,62-63H,13-22,24,26,28,30,32,34,36,38,40,42,44-45,61H2,1-12H3,(H,64,65)/b47-25?,48-27?,49-29?,50-31?,51-33?,52-35?,53-37?,54-39?,55-41?,56-43?/t57?,58?,59?,60? |
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| SMILES (mnx) | [CH3:1][CH:2]1[CH:3]([CH2:4][C:5]([CH3:6])(=[CH2:7])[CH2:8][CH2:9][CH:10]=[C:11]([CH3:12])[CH2:13][CH2:14][CH:15]=[C:16]([CH3:17])[CH2:18][CH2:19][CH:20]=[C:21]([CH3:22])[CH2:23][CH2:24][CH:25]=[C:26]([CH3:27])[CH2:28][CH2:29][CH:30]=[C:31]([CH3:32])[CH2:33][CH2:34][CH:35]=[C:36]([CH3:37])[CH2:38][CH2:39][CH:40]=[C:41]([CH3:42])[CH2:43][CH2:44][CH:45]=[C:46]([CH3:47])[CH2:48][CH2:49][CH:50]=[C:51]([CH3:52])[CH2:53][CH2:54][CH:55]=[C:56]([CH3:57])[CH2:58][CH2:59]/[CH:60]=[N:61](\[OH:62])[OH:63])[O:64][O:65][O:66]([OH:67])[O:68]1[PH2:69] |
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