| Properties | Image |
|---|
| MNX_ID | MNXM128225 |
 |
| reference | hmdb:HMDB0031395 |
| formula | C35H64O7 |
| global charge | 0 |
| mol weight | 596.89 |
| InChIKey | YPSCFXUHUJPNHJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-12-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3 |
| SMILES | CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-12-15-18-29(36)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][CH2:14][CH2:17][CH2:20][CH:31]([CH:32]([CH2:22][CH2:23][CH:33]([CH:34]1[CH2:24][CH2:21][CH:30]([CH2:19][CH2:16][CH2:13][CH2:11][CH2:12][CH2:15][CH2:18][CH:29]([CH2:26][C:28]2=[CH:25][CH:27]([CH3:2])[O:41][C:35]2=[O:40])[OH:36])[O:42]1)[OH:39])[OH:38])[OH:37] |
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