| Properties | Image |
|---|
| MNX_ID | MNXM1197154 |
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| reference | envipathM:...6bb577f201ab |
| formula | C37H66O9 |
| global charge | 0 |
| mol weight | 654.926 |
| InChIKey | RBQYRNWEHDXHTN-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-25-35(41)44-29(27-38)28-43-34(40)24-21-18-19-22-30(39)36(42)37-33(46-37)26-32-31(45-32)23-6-4-2/h8-9,29-33,36-39,42H,3-7,10-28H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCC(O)C(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-25-35(41)44-29(27-38)28-43-34(40)24-21-18-19-22-30(39)36(42)37-33(46-37)26-32-31(45-32)23-6-4-2/h8-9,29-33,36-39,42H,3-7,10-28H2,1-2H3/b9-8?/t29?,30?,31?,32?,33?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:25][C:35](=[O:41])[O:44][CH:29]([CH2:27][OH:38])[CH2:28][O:43][C:34]([CH2:24][CH2:21][CH2:18][CH2:19][CH2:22][CH:30]([CH:36]([CH:37]1[CH:33]([CH2:26][CH:32]2[CH:31]([CH2:23][CH2:6][CH2:4][CH3:2])[O:45]2)[O:46]1)[OH:42])[OH:39])=[O:40] |
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