| Properties | Image |
|---|
| MNX_ID | MNXM1197382 |
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| reference | envipathM:...de96e85e8c97 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | GZEZRIRCLVOXDJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-2-3-22-32-34(45-32)27-35-33(46-35)23-16-12-10-14-17-24-36(41)43-29-31(28-39)44-37(42)25-18-13-9-7-5-4-6-8-11-15-20-30(40)21-19-26-38/h6,8,15,20,26,30-35,39-40H,2-5,7,9-14,16-19,21-25,27-29H2,1H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CC(O)CCC=O |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-2-3-22-32-34(45-32)27-35-33(46-35)23-16-12-10-14-17-24-36(41)43-29-31(28-39)44-37(42)25-18-13-9-7-5-4-6-8-11-15-20-30(40)21-19-26-38/h6,8,15,20,26,30-35,39-40H,2-5,7,9-14,16-19,21-25,27-29H2,1H3/b8-6?,20-15?/t30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:22][CH:32]1[CH:34]([CH2:27][CH:35]2[CH:33]([CH2:23][CH2:16][CH2:12][CH2:10][CH2:14][CH2:17][CH2:24][C:36](=[O:41])[O:43][CH2:29][CH:31]([CH2:28][OH:39])[O:44][C:37]([CH2:25][CH2:18][CH2:13][CH2:9][CH2:7][CH2:5][CH2:4][CH:6]=[CH:8][CH2:11][CH:15]=[CH:20][CH:30]([CH2:21][CH2:19][CH:26]=[O:38])[OH:40])=[O:42])[O:46]2)[O:45]1 |
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