| Properties | Image |
|---|
| MNX_ID | MNXM105484 |
 |
| reference | chebi:67822 |
| formula | C31H40O9 |
| global charge | 0 |
| mol weight | 556.652 |
| InChIKey | FHOVJOXBAHBKGJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C31H40O9/c1-6-8-10-12-22(32)14-20-16-24(37-3)18-26(34)28(20)31(36)40-25-17-21(15-23(33)13-11-9-7-2)29(30(35)39-5)27(19-25)38-4/h16-19,34H,6-15H2,1-5H3 |
| SMILES | CCCCCC(=O)CC1=CC(OC(=O)C2=C(CC(=O)CCCCC)C=C(OC)C=C2O)=CC(OC)=C1C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C31H40O9/c1-6-8-10-12-22(32)14-20-16-24(37-3)18-26(34)28(20)31(36)40-25-17-21(15-23(33)13-11-9-7-2)29(30(35)39-5)27(19-25)38-4/h16-19,34H,6-15H2,1-5H3 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][C:22]([CH2:14][C:20]1=[CH:16][C:24]([O:37][CH3:3])=[CH:18][C:26]([OH:34])=[C:28]1[C:31](=[O:36])[O:40][C:25]1=[CH:19][C:27]([O:38][CH3:4])=[C:29]([C:30](=[O:35])[O:39][CH3:5])[C:21]([CH2:15][C:23]([CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:33])=[CH:17]1)=[O:32] |
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