| Properties | Image |
|---|
| MNX_ID | MNXM731557 |
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| reference | metacycM:CPD-464 |
| formula | C40H65O7P2 |
| global charge | -3 |
| mol weight | 719.901 |
| InChIKey | RVCNKTPCHZNAAO-IMSLGMFESA-K |
| InChI | InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/p-3/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40+/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@H]1[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@]1(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:31]([CH3:2])=[CH:17][CH2:11][CH2:19]/[C:33]([CH3:5])=[CH:21]/[CH2:13][CH2:23]/[C:35]([CH3:7])=[CH:25]/[CH2:15][CH2:26]/[C:37]([CH3:9])=[CH:29]/[C@H:38]1[C@H:39]([CH2:30][O:46][P:49]([OH:44])(=[O:45])[O:47][P:48]([OH:41])([OH:42])=[O:43])[C@:40]1([CH3:10])[CH2:28][CH2:16]/[CH:27]=[C:36](\[CH3:8])[CH2:24][CH2:14]/[CH:22]=[C:34](\[CH3:6])[CH2:20][CH2:12][CH:18]=[C:32]([CH3:3])[CH3:4] |
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