| Properties | Image |
|---|
| MNX_ID | MNXM153032 |
 |
| reference | metacycM:CPD-17834 |
| formula | C75H123O4P |
| global charge | -2 |
| mol weight | 1119.779 |
| InChIKey | PIXKESXHOZRUOX-QETGZKJGSA-L |
| InChI | InChI=1S/C75H125O4P/c1-61(2)31-17-32-62(3)33-18-34-63(4)35-19-36-64(5)37-20-38-65(6)39-21-40-66(7)41-22-42-67(8)43-23-44-68(9)45-24-46-69(10)47-25-48-70(11)49-26-50-71(12)51-27-52-72(13)53-28-54-73(14)55-29-56-74(15)57-30-58-75(16)59-60-79-80(76,77)78/h31,33,35,37,39,41,43,45,47,49,51,53,55,57,75H,17-30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-60H2,1-16H3,(H2,76,77,78)/p-2/b62-33+,63-35+,64-37-,65-39-,66-41-,67-43-,68-45-,69-47-,70-49-,71-51-,72-53-,73-55-,74-57- |
| 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\CCC(C)CCOP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C75H125O4P/c1-61(2)31-17-32-62(3)33-18-34-63(4)35-19-36-64(5)37-20-38-65(6)39-21-40-66(7)41-22-42-67(8)43-23-44-68(9)45-24-46-69(10)47-25-48-70(11)49-26-50-71(12)51-27-52-72(13)53-28-54-73(14)55-29-56-74(15)57-30-58-75(16)59-60-79-80(76,77)78/h31,33,35,37,39,41,43,45,47,49,51,53,55,57,75H,17-30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-60H2,1-16H3,(H2,76,77,78)/b62-33+,63-35+,64-37-,65-39-,66-41-,67-43-,68-45-,69-47-,70-49-,71-51-,72-53-,73-55-,74-57-/t75? |
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| SMILES (mnx) | [CH3:1][C:61]([CH3:2])=[CH:31][CH2:17][CH2:32]/[C:62]([CH3:3])=[CH:33]/[CH2:18][CH2:34]/[C:63]([CH3:4])=[CH:35]/[CH2:19][CH2:36]/[C:64]([CH3:5])=[CH:37]\[CH2:20][CH2:38]/[C:65]([CH3:6])=[CH:39]\[CH2:21][CH2:40]/[C:66]([CH3:7])=[CH:41]\[CH2:22][CH2:42]/[C:67]([CH3:8])=[CH:43]\[CH2:23][CH2:44]/[C:68]([CH3:9])=[CH:45]\[CH2:24][CH2:46]/[C:69]([CH3:10])=[CH:47]\[CH2:25][CH2:48]/[C:70]([CH3:11])=[CH:49]\[CH2:26][CH2:50]/[C:71]([CH3:12])=[CH:51]\[CH2:27][CH2:52]/[C:72]([CH3:13])=[CH:53]\[CH2:28][CH2:54]/[C:73]([CH3:14])=[CH:55]\[CH2:29][CH2:56]/[C:74]([CH3:15])=[CH:57]\[CH2:30][CH2:58][CH:75]([CH3:16])[CH2:59][CH2:60][O:79][P:80]([OH:76])([OH:77])=[O:78] |
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