| Properties | Image |
|---|
| MNX_ID | MNXM1173140 |
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| reference | envipathM:...80f34a734fc6 |
| formula | C37H62O11 |
| global charge | 0 |
| mol weight | 682.892 |
| InChIKey | WTDUIGBEDRXZHP-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O11/c1-2-3-18-31-36(47-31)35(43)37-32(48-37)21-13-7-5-9-16-23-34(42)45-26-28(40)25-44-33(41)22-15-8-4-6-12-19-29-30(46-29)20-14-10-11-17-27(39)24-38/h10,14,27-32,36-40H,2-9,11-13,15-26H2,1H3 |
| SMILES | CCCCC1OC1C(=O)C1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C37H62O11/c1-2-3-18-31-36(47-31)35(43)37-32(48-37)21-13-7-5-9-16-23-34(42)45-26-28(40)25-44-33(41)22-15-8-4-6-12-19-29-30(46-29)20-14-10-11-17-27(39)24-38/h10,14,27-32,36-40H,2-9,11-13,15-26H2,1H3/b14-10?/t27?,28?,29?,30?,31?,32?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:18][CH:31]1[CH:36]([C:35]([CH:37]2[CH:32]([CH2:21][CH2:13][CH2:7][CH2:5][CH2:9][CH2:16][CH2:23][C:34](=[O:42])[O:45][CH2:26][CH:28]([CH2:25][O:44][C:33]([CH2:22][CH2:15][CH2:8][CH2:4][CH2:6][CH2:12][CH2:19][CH:29]3[CH:30]([CH2:20][CH:14]=[CH:10][CH2:11][CH2:17][CH:27]([CH2:24][OH:38])[OH:39])[O:46]3)=[O:41])[OH:40])[O:48]2)=[O:43])[O:47]1 |
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