| Properties | Image |
|---|
| MNX_ID | MNXM105744 |
 |
| reference | chebi:66076 |
| formula | C37H56O8 |
| global charge | 0 |
| mol weight | 628.847 |
| InChIKey | LCCCZIASPPCLCU-KKLWWLSJSA-N |
| InChI | InChI=1S/C37H56O8/c1-4-16-33(44-27(3)38)20-14-11-7-9-13-19-29-24-32(41)26-35(42)36(29)37(43)45-34(17-5-2)21-15-10-6-8-12-18-28-22-30(39)25-31(40)23-28/h22-26,33-34,39-42H,4-21H2,1-3H3/t33-,34-/m1/s1 |
| SMILES | CCC[C@H](CCCCCCCC1=C(C(=O)O[C@H](CCC)CCCCCCCC2=CC(O)=CC(O)=C2)C(O)=CC(O)=C1)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C37H56O8/c1-4-16-33(44-27(3)38)20-14-11-7-9-13-19-29-24-32(41)26-35(42)36(29)37(43)45-34(17-5-2)21-15-10-6-8-12-18-28-22-30(39)25-31(40)23-28/h22-26,33-34,39-42H,4-21H2,1-3H3/t33-,34-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:16][C@H:33]([CH2:20][CH2:14][CH2:11][CH2:7][CH2:9][CH2:13][CH2:19][C:29]1=[CH:24][C:32]([OH:41])=[CH:26][C:35]([OH:42])=[C:36]1[C:37](=[O:43])[O:45][C@H:34]([CH2:17][CH2:5][CH3:2])[CH2:21][CH2:15][CH2:10][CH2:6][CH2:8][CH2:12][CH2:18][C:28]1=[CH:22][C:30]([OH:39])=[CH:25][C:31]([OH:40])=[CH:23]1)[O:44][C:27]([CH3:3])=[O:38] |
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