| Properties | Image |
|---|
| MNX_ID | MNXM1131008 |
 |
| reference | lipidmapsM:LMPK03000072 |
| formula | C37H66O7 |
| global charge | 0 |
| mol weight | 622.928 |
| InChIKey | DBOZPVVTYAUEJV-ZFLUTHKMSA-N |
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-16-18-21-32(39)28-30-27-29(2)43-37(30)42/h14-15,27,29,31-36,38-41H,3-13,16-26,28H2,1-2H3/b15-14+/t29-,31?,32-,33-,34-,35-,36-/m0/s1 |
| SMILES | CCCCCCCCCCCC/C=C/CC[C@H](O)[C@@H]1CC[C@@H]([C@@H](O)CCC(O)CCCCC[C@H](O)CC2=C[C@H](C)OC2=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-16-18-21-32(39)28-30-27-29(2)43-37(30)42/h14-15,27,29,31-36,38-41H,3-13,16-26,28H2,1-2H3/b15-14+/t29-,31?,32-,33-,34-,35-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]/[CH2:19][CH2:22][C@@H:33]([C@@H:35]1[CH2:25][CH2:26][C@@H:36]([C@H:34]([CH2:24][CH2:23][CH:31]([CH2:20][CH2:17][CH2:16][CH2:18][CH2:21][C@@H:32]([CH2:28][C:30]2=[CH:27][C@H:29]([CH3:2])[O:43][C:37]2=[O:42])[OH:39])[OH:38])[OH:41])[O:44]1)[OH:40] |
|