| Properties | Image |
|---|
| MNX_ID | MNXM1172417 |
 |
| reference | envipathM:...b755e39ccabf |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | MKKBPHNQHTVNBY-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-7-9-10-11-12-13-14-15-17-20-24-31(39)35(42)37(43)45-30(28-38)29-44-34(41)27-23-19-18-21-25-32(40)36-33(46-36)26-22-16-8-6-4-2/h9-10,12-13,16,22,30-31,33,35-36,38-39,42H,3-8,11,14-15,17-21,23-29H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(CO)COC(=O)CCCCCCC(=O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-7-9-10-11-12-13-14-15-17-20-24-31(39)35(42)37(43)45-30(28-38)29-44-34(41)27-23-19-18-21-25-32(40)36-33(46-36)26-22-16-8-6-4-2/h9-10,12-13,16,22,30-31,33,35-36,38-39,42H,3-8,11,14-15,17-21,23-29H2,1-2H3/b10-9?,13-12?,22-16?/t30?,31?,33?,35?,36? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:17][CH2:20][CH2:24][CH:31]([CH:35]([C:37](=[O:43])[O:45][CH:30]([CH2:28][OH:38])[CH2:29][O:44][C:34]([CH2:27][CH2:23][CH2:19][CH2:18][CH2:21][CH2:25][C:32]([CH:36]1[CH:33]([CH2:26][CH:22]=[CH:16][CH2:8][CH2:6][CH2:4][CH3:2])[O:46]1)=[O:40])=[O:41])[OH:42])[OH:39] |
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