| Properties | Image |
|---|
| MNX_ID | MNXM128222 |
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| reference | hmdb:HMDB0032103 |
| formula | C35H64O8 |
| global charge | 0 |
| mol weight | 612.889 |
| InChIKey | BUCMIVANQORDFI-UHFFFAOYSA-N |
| InChI | InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)25-29(37)17-14-12-13-16-28(36)19-20-30(38)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3 |
| SMILES | CCCCCCCCCCCCC(O)C1CCC(C(O)CC(O)CCCCCC(O)CCC(O)CC2=CC(C)OC2=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)25-29(37)17-14-12-13-16-28(36)19-20-30(38)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26?,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][CH2:10][CH2:11][CH2:15][CH2:18][CH:31]([CH:33]1[CH2:21][CH2:22][CH:34]([CH:32]([CH2:25][CH:29]([CH2:17][CH2:14][CH2:12][CH2:13][CH2:16][CH:28]([CH2:19][CH2:20][CH:30]([CH2:24][C:27]2=[CH:23][CH:26]([CH3:2])[O:42][C:35]2=[O:41])[OH:38])[OH:36])[OH:37])[OH:40])[O:43]1)[OH:39] |
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