| Properties | Image |
|---|
| MNX_ID | MNXM119216 |
 |
| reference | hmdb:HMDB0039605 |
| formula | C35H64O7 |
| global charge | 0 |
| mol weight | 596.89 |
| InChIKey | KMWNDWVUJGIBII-UHFFFAOYSA-N |
| InChI | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3 |
| SMILES | CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCC(O)CCCCC(O)CC2=CC(C)OC2=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27?,29?,30?,31?,32?,33?,34? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:14][CH2:21][CH:31]([CH:33]1[CH2:23][CH2:24][CH:34]([CH:32]([CH2:22][CH2:15][CH2:12][CH2:13][CH2:18][CH:29]([CH2:19][CH2:16][CH2:17][CH2:20][CH:30]([CH2:26][C:28]2=[CH:25][CH:27]([CH3:2])[O:41][C:35]2=[O:40])[OH:37])[OH:36])[OH:39])[O:42]1)[OH:38] |
|