| Properties | Image |
|---|
| MNX_ID | MNXM1171454 |
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| reference | envipathM:...7bc82dae1205 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | XHJRZGMKCIYGKE-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-36(42)45-32(29-39)30-44-37(43)33(41)24-17-15-16-18-25-34-35(46-34)26-20-22-31(40)23-21-28-38/h5-6,8-9,20,22,28,31-35,39-41H,2-4,7,10-19,21,23-27,29-30H2,1H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC=O |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-36(42)45-32(29-39)30-44-37(43)33(41)24-17-15-16-18-25-34-35(46-34)26-20-22-31(40)23-21-28-38/h5-6,8-9,20,22,28,31-35,39-41H,2-4,7,10-19,21,23-27,29-30H2,1H3/b6-5?,9-8?,22-20?/t31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:19][CH2:27][C:36](=[O:42])[O:45][CH:32]([CH2:29][OH:39])[CH2:30][O:44][C:37]([CH:33]([CH2:24][CH2:17][CH2:15][CH2:16][CH2:18][CH2:25][CH:34]1[CH:35]([CH2:26][CH:20]=[CH:22][CH:31]([CH2:23][CH2:21][CH:28]=[O:38])[OH:40])[O:46]1)[OH:41])=[O:43] |
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