| Properties | Image |
|---|
| MNX_ID | MNXM3574 |
 |
| reference | metacycM:CPD1G-69 |
| formula | C41H68O9P |
| global charge | -1 |
| mol weight | 735.96 |
| InChIKey | KNRYHIZEERVTPD-IEVNQIKVSA-M |
| InChI | InChI=1S/C41H69O9P/c1-30(2)15-9-16-31(3)17-10-18-32(4)19-11-20-33(5)21-12-22-34(6)23-13-24-35(7)25-14-26-36(8)27-28-48-51(46,47)50-41-40(45)39(44)38(43)37(29-42)49-41/h15,17,19,21,23,25,27,37-45H,9-14,16,18,20,22,24,26,28-29H2,1-8H3,(H,46,47)/p-1/b31-17+,32-19+,33-21+,34-23+,35-25+,36-27+/t37-,38-,39+,40+,41-/m1/s1 |
| 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/COP(=O)([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H69O9P/c1-30(2)15-9-16-31(3)17-10-18-32(4)19-11-20-33(5)21-12-22-34(6)23-13-24-35(7)25-14-26-36(8)27-28-48-51(46,47)50-41-40(45)39(44)38(43)37(29-42)49-41/h15,17,19,21,23,25,27,37-45H,9-14,16,18,20,22,24,26,28-29H2,1-8H3,(H,46,47)/b31-17+,32-19+,33-21+,34-23+,35-25+,36-27+/t37-,38-,39+,40+,41-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:30]([CH3:2])=[CH:15][CH2:9][CH2:16]/[C:31]([CH3:3])=[CH:17]/[CH2:10][CH2:18]/[C:32]([CH3:4])=[CH:19]/[CH2:11][CH2:20]/[C:33]([CH3:5])=[CH:21]/[CH2:12][CH2:22]/[C:34]([CH3:6])=[CH:23]/[CH2:13][CH2:24]/[C:35]([CH3:7])=[CH:25]/[CH2:14][CH2:26]/[C:36]([CH3:8])=[CH:27]/[CH2:28][O:48][P:51]([OH:46])(=[O:47])[O:50][C@@H:41]1[C@@H:40]([OH:45])[C@@H:39]([OH:44])[C@H:38]([OH:43])[C@@H:37]([CH2:29][OH:42])[O:49]1 |
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