| Properties | Image |
|---|
| MNX_ID | MNXM1364333 |
 |
| reference | chebi:94567 |
| formula | C53H84NO14P |
| global charge | 0 |
| mol weight | 990.222 |
| InChIKey | BUROJSBIWGDYCN-DHGBBOBXSA-N |
| InChI | InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 |
| SMILES | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C |
MNX internals
| InChI (mnx) | InChI=1/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13?,18-14?,33-19?,37-27?/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:32]1[CH:18]=[CH:14][CH:13]=[CH:15][CH:19]=[C:33]([CH3:2])[C@@H:44]([O:63][CH3:8])[CH2:30][C@@H:40]2[CH2:23][CH2:21][C@@H:38]([CH3:7])[C@:53]([OH:61])([C:50](=[O:58])[C:51](=[O:59])[N:54]3[CH2:25][CH2:17][CH2:16][CH2:20][C@H:41]3[C:52](=[O:60])[O:66][C@H:45]([C@H:35]([CH3:4])[CH2:28][C@@H:39]3[CH2:22][CH2:24][C@@H:43]([O:68][P:69]([CH3:11])([CH3:12])=[O:62])[C@H:46]([O:64][CH3:9])[CH2:29]3)[CH2:31][C:42](=[O:55])[C@H:34]([CH3:3])[CH:27]=[C:37]([CH3:6])[C@@H:48]([OH:57])[C@@H:49]([O:65][CH3:10])[C:47](=[O:56])[C@H:36]([CH3:5])[CH2:26]1)[O:67]2 |
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