| Properties | Image |
|---|
| MNX_ID | MNXM165284 |
 |
| reference | metacycM:CPD-12460 |
| formula | C60H97O7P2 |
| global charge | -3 |
| mol weight | 992.377 |
| InChIKey | WURMRKUXTPWSRM-IKHYFIKWSA-K |
| InChI | InChI=1S/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)/p-3/b50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47- |
| 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\COP(=O)([O-])OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)/b50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47- |
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| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:25][CH2:14][CH2:26]/[C:50]([CH3:3])=[CH:27]/[CH2:15][CH2:28]/[C:51]([CH3:4])=[CH:29]\[CH2:16][CH2:30]/[C:52]([CH3:5])=[CH:31]\[CH2:17][CH2:32]/[C:53]([CH3:6])=[CH:33]\[CH2:18][CH2:34]/[C:54]([CH3:7])=[CH:35]\[CH2:19][CH2:36]/[C:55]([CH3:8])=[CH:37]\[CH2:20][CH2:38]/[C:56]([CH3:9])=[CH:39]\[CH2:21][CH2:40]/[C:57]([CH3:10])=[CH:41]\[CH2:22][CH2:42]/[C:58]([CH3:11])=[CH:43]\[CH2:23][CH2:44]/[C:59]([CH3:12])=[CH:45]\[CH2:24][CH2:46]/[C:60]([CH3:13])=[CH:47]\[CH2:48][O:66][P:69]([OH:64])(=[O:65])[O:67][P:68]([OH:61])([OH:62])=[O:63] |
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