| Properties | Image |
|---|
| MNX_ID | MNXM145037 |
 |
| reference | hmdb:HMDB0031926 |
| formula | C35H62O8 |
| global charge | 0 |
| mol weight | 610.873 |
| InChIKey | FTBUPRVFMAYNFL-UHFFFAOYSA-N |
| InChI | InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-13-16-29(37)33-21-22-34(43-33)31(39)19-18-30(38)32-20-17-28(42-32)15-12-10-11-14-27(36)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3 |
| SMILES | CCCCCCCCCCC(O)C1CCC(C(O)CCC(O)C2CCC(CCCCCC(O)CC3=CC(C)OC3=O)O2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H62O8/c1-3-4-5-6-7-8-9-13-16-29(37)33-21-22-34(43-33)31(39)19-18-30(38)32-20-17-28(42-32)15-12-10-11-14-27(36)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3/t25?,27?,28?,29?,30?,31?,32?,33?,34? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:13][CH2:16][CH:29]([CH:33]1[CH2:21][CH2:22][CH:34]([CH:31]([CH2:19][CH2:18][CH:30]([CH:32]2[CH2:20][CH2:17][CH:28]([CH2:15][CH2:12][CH2:10][CH2:11][CH2:14][CH:27]([CH2:24][C:26]3=[CH:23][CH:25]([CH3:2])[O:41][C:35]3=[O:40])[OH:36])[O:42]2)[OH:38])[OH:39])[O:43]1)[OH:37] |
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