| Properties | Image |
|---|
| MNX_ID | MNXM1131282 |
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| reference | lipidmapsM:LMPR0104330014 |
| formula | C37H50O10 |
| global charge | 0 |
| mol weight | 654.797 |
| InChIKey | LJMGPHPBWGVOEW-YGBGHXOCSA-N |
| InChI | InChI=1S/C37H50O10/c1-6-7-8-9-10-11-15-18-27(39)46-37-30(34(37,4)5)28-29(47-44)25(21-38)20-35(42)26(19-22(2)31(35)40)36(28,43)23(3)32(37)45-33(41)24-16-13-12-14-17-24/h12-14,16-17,19-20,23,26,28-30,32,38,42-44H,6-11,15,18,21H2,1-5H3/t23-,26-,28+,29+,30-,32-,35-,36+,37-/m1/s1 |
| SMILES | CCCCCCCCCC(=O)O[C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)[C@@H](OO)C(CO)=C[C@]1(O)C(=O)C(C)=C[C@@H]31 |
MNX internals
| InChI (mnx) | InChI=1/C37H50O10/c1-6-7-8-9-10-11-15-18-27(39)46-37-30(34(37,4)5)28-29(47-44)25(21-38)20-35(42)26(19-22(2)31(35)40)36(28,43)23(3)32(37)45-33(41)24-16-13-12-14-17-24/h12-14,16-17,19-20,23,26,28-30,32,38,42-44H,6-11,15,18,21H2,1-5H3/t23-,26-,28+,29+,30-,32-,35-,36+,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:15][CH2:18][C:27](=[O:39])[O:46][C@:37]12[C@H:30]([C@@H:28]3[C@@H:29]([O:47][OH:44])[C:25]([CH2:21][OH:38])=[CH:20][C@@:35]4([OH:42])[C@@H:26]([CH:19]=[C:22]([CH3:2])[C:31]4=[O:40])[C@@:36]3([OH:43])[C@H:23]([CH3:3])[C@H:32]1[O:45][C:33]([C:24]1=[CH:16][CH:13]=[CH:12][CH:14]=[CH:17]1)=[O:41])[C:34]2([CH3:4])[CH3:5] |
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