| Properties | Image |
|---|
| MNX_ID | MNXM153035 |
 |
| reference | metacycM:CPD-17832 |
| formula | C85H139O4P |
| global charge | -2 |
| mol weight | 1256.017 |
| InChIKey | FTQRNMYPYFLADB-UJTSAFTQSA-L |
| InChI | InChI=1S/C85H141O4P/c1-69(2)35-19-36-70(3)37-20-38-71(4)39-21-40-72(5)41-22-42-73(6)43-23-44-74(7)45-24-46-75(8)47-25-48-76(9)49-26-50-77(10)51-27-52-78(11)53-28-54-79(12)55-29-56-80(13)57-30-58-81(14)59-31-60-82(15)61-32-62-83(16)63-33-64-84(17)65-34-66-85(18)67-68-89-90(86,87)88/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,85H,19-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66-68H2,1-18H3,(H2,86,87,88)/p-2/b70-37+,71-39+,72-41-,73-43-,74-45-,75-47-,76-49-,77-51-,78-53-,79-55-,80-57-,81-59-,82-61-,83-63-,84-65- |
| 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\CC/C(C)=C\CCC(C)CCOP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C85H141O4P/c1-69(2)35-19-36-70(3)37-20-38-71(4)39-21-40-72(5)41-22-42-73(6)43-23-44-74(7)45-24-46-75(8)47-25-48-76(9)49-26-50-77(10)51-27-52-78(11)53-28-54-79(12)55-29-56-80(13)57-30-58-81(14)59-31-60-82(15)61-32-62-83(16)63-33-64-84(17)65-34-66-85(18)67-68-89-90(86,87)88/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,85H,19-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66-68H2,1-18H3,(H2,86,87,88)/b70-37+,71-39+,72-41-,73-43-,74-45-,75-47-,76-49-,77-51-,78-53-,79-55-,80-57-,81-59-,82-61-,83-63-,84-65-/t85? |
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| SMILES (mnx) | [CH3:1][C:69]([CH3:2])=[CH:35][CH2:19][CH2:36]/[C:70]([CH3:3])=[CH:37]/[CH2:20][CH2:38]/[C:71]([CH3:4])=[CH:39]/[CH2:21][CH2:40]/[C:72]([CH3:5])=[CH:41]\[CH2:22][CH2:42]/[C:73]([CH3:6])=[CH:43]\[CH2:23][CH2:44]/[C:74]([CH3:7])=[CH:45]\[CH2:24][CH2:46]/[C:75]([CH3:8])=[CH:47]\[CH2:25][CH2:48]/[C:76]([CH3:9])=[CH:49]\[CH2:26][CH2:50]/[C:77]([CH3:10])=[CH:51]\[CH2:27][CH2:52]/[C:78]([CH3:11])=[CH:53]\[CH2:28][CH2:54]/[C:79]([CH3:12])=[CH:55]\[CH2:29][CH2:56]/[C:80]([CH3:13])=[CH:57]\[CH2:30][CH2:58]/[C:81]([CH3:14])=[CH:59]\[CH2:31][CH2:60]/[C:82]([CH3:15])=[CH:61]\[CH2:32][CH2:62]/[C:83]([CH3:16])=[CH:63]\[CH2:33][CH2:64]/[C:84]([CH3:17])=[CH:65]\[CH2:34][CH2:66][CH:85]([CH3:18])[CH2:67][CH2:68][O:89][P:90]([OH:86])([OH:87])=[O:88] |
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