| Properties | Image |
|---|
| MNX_ID | MNXM342448 |
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| reference | slm:000443658 |
| formula | C45H71O22P4 |
| global charge | -7 |
| mol weight | 1087.937 |
| InChIKey | QNFRJIMOWMLJTB-JAPMWZIKSA-G |
| InChI | InChI=1S/C45H78O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-39(47)63-38(35-61-37(2)46)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h4-5,7-8,10-11,13-14,16-17,19-20,38,40-45,48-49H,3,6,9,12,15,18,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/p-7/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t38-,40+,41+,42-,43+,44-,45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C45H78O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-39(47)63-38(35-61-37(2)46)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h4-5,7-8,10-11,13-14,16-17,19-20,38,40-45,48-49H,3,6,9,12,15,18,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t38-,40+,41+,42-,43+,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][C:39](=[O:47])[O:63][C@H:38]([CH2:35][O:61][C:37]([CH3:2])=[O:46])[CH2:36][O:62][P:71]([OH:59])(=[O:60])[O:67][C@@H:42]1[C@H:40]([OH:48])[C@H:43]([O:64][P:68]([OH:50])([OH:51])=[O:52])[C@@H:45]([O:66][P:70]([OH:56])([OH:57])=[O:58])[C@H:44]([O:65][P:69]([OH:53])([OH:54])=[O:55])[C@H:41]1[OH:49] |
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