| Properties | Image |
MNX_ID | MNXM335652 |
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reference | slm:000041164 |
formula | C40H70O10P |
global charge | -1 |
mol weight | 741.964 |
InChIKey | DEVICCSUJIHCQG-GGJNNMRMSA-M |
InChI | InChI=1S/C40H71O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,37-38,41-42H,3-4,6,8-9,14-15,18-36H2,1-2H3,(H,45,46)/p-1/b7-5-,12-10-,13-11-,17-16-/t37-,38+/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
InChI (mnx) | InChI=1/C40H71O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,37-38,41-42H,3-4,6,8-9,14-15,18-36H2,1-2H3,(H,45,46)/b7-5-,12-10-,13-11-,17-16-/t37-,38+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:40](=[O:44])[O:50][C@H:38]([CH2:35][O:47][C:39]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:43])[CH2:36][O:49][P:51]([OH:45])(=[O:46])[O:48][CH2:34][C@H:37]([CH2:33][OH:41])[OH:42] |
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