| Properties | Image |
|---|
| MNX_ID | MNXM22528 |
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| reference | metacycM:CPD-11982 |
| formula | C40H65O7P2 |
| global charge | -3 |
| mol weight | 719.901 |
| InChIKey | IKKLDISSULFFQO-RBOJCQFOSA-K |
| InChI | InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/p-3/b34-19+,35-21-,36-23-,37-25-,38-27-,39-29-,40-31- |
| 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\COP(=O)([O-])OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21-,36-23-,37-25-,38-27-,39-29-,40-31- |
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| SMILES (mnx) | [CH3:1][C:33]([CH3:2])=[CH:17][CH2:10][CH2:18]/[C:34]([CH3:3])=[CH:19]/[CH2:11][CH2:20]/[C:35]([CH3:4])=[CH:21]\[CH2:12][CH2:22]/[C:36]([CH3:5])=[CH:23]\[CH2:13][CH2:24]/[C:37]([CH3:6])=[CH:25]\[CH2:14][CH2:26]/[C:38]([CH3:7])=[CH:27]\[CH2:15][CH2:28]/[C:39]([CH3:8])=[CH:29]\[CH2:16][CH2:30]/[C:40]([CH3:9])=[CH:31]\[CH2:32][O:46][P:49]([OH:44])(=[O:45])[O:47][P:48]([OH:41])([OH:42])=[O:43] |
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