| Properties | Image |
|---|
| MNX_ID | MNXM107306 |
 |
| reference | chebi:65544 |
| formula | C25H32O9 |
| global charge | 0 |
| mol weight | 476.522 |
| InChIKey | SJZIFWGVHGVKAH-AVZLBZSXSA-N |
| InChI | InChI=1S/C25H32O9/c1-12(26)32-20-21(33-13(2)27)23(4,5)25(30)9-7-15-17(24(25,6)22(20)34-14(3)28)11-18-16(19(15)29)8-10-31-18/h8,10,15,17,20-22,30H,7,9,11H2,1-6H3/t15-,17+,20+,21-,22+,24+,25-/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@H]3C(=O)C4=C(C[C@@H]3[C@@]2(C)[C@H]1OC(C)=O)OC=C4 |
MNX internals
| InChI (mnx) | InChI=1/C25H32O9/c1-12(26)32-20-21(33-13(2)27)23(4,5)25(30)9-7-15-17(24(25,6)22(20)34-14(3)28)11-18-16(19(15)29)8-10-31-18/h8,10,15,17,20-22,30H,7,9,11H2,1-6H3/t15-,17+,20+,21-,22+,24+,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12](=[O:26])[O:32][C@H:20]1[C@@H:21]([O:33][C:13]([CH3:2])=[O:27])[C:23]([CH3:4])([CH3:5])[C@:25]2([OH:30])[CH2:9][CH2:7][C@@H:15]3[C@H:17]([CH2:11][C:18]4=[C:16]([CH:8]=[CH:10][O:31]4)[C:19]3=[O:29])[C@@:24]2([CH3:6])[C@H:22]1[O:34][C:14]([CH3:3])=[O:28] |
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