| Properties | Image |
|---|
| MNX_ID | MNXM1197371 |
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| reference | envipathM:...b24da6288dc2 |
| formula | C37H64O9 |
| global charge | 0 |
| mol weight | 652.91 |
| InChIKey | NXIFCAQSMMHFSQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O9/c1-3-5-7-16-21-30(39)22-17-12-9-8-10-14-20-26-37(43)45-31(28-38)29-44-36(42)25-19-15-11-13-18-23-32(40)33(41)27-35-34(46-35)24-6-4-2/h16-17,21-22,30-32,34-35,38-40H,3-15,18-20,23-29H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O9/c1-3-5-7-16-21-30(39)22-17-12-9-8-10-14-20-26-37(43)45-31(28-38)29-44-36(42)25-19-15-11-13-18-23-32(40)33(41)27-35-34(46-35)24-6-4-2/h16-17,21-22,30-32,34-35,38-40H,3-15,18-20,23-29H2,1-2H3/b21-16?,22-17?/t30?,31?,32?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:21][CH:30]([CH:22]=[CH:17][CH2:12][CH2:9][CH2:8][CH2:10][CH2:14][CH2:20][CH2:26][C:37](=[O:43])[O:45][CH:31]([CH2:28][OH:38])[CH2:29][O:44][C:36]([CH2:25][CH2:19][CH2:15][CH2:11][CH2:13][CH2:18][CH2:23][CH:32]([C:33]([CH2:27][CH:35]1[CH:34]([CH2:24][CH2:6][CH2:4][CH3:2])[O:46]1)=[O:41])[OH:40])=[O:42])[OH:39] |
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