| Properties | Image |
|---|
| MNX_ID | MNXM102726 |
 |
| reference | chebi:67442 |
| formula | C25H30O9 |
| global charge | 0 |
| mol weight | 474.506 |
| InChIKey | PPTXQFNYNVVYPV-HBJRXTQZSA-N |
| InChI | InChI=1S/C25H30O9/c1-11-12(2)21(34-13(3)26)15-9-16(28-4)22(29-5)24(30-6)19(15)18-14(20(11)27)8-17-23(25(18)31-7)33-10-32-17/h8-9,11-12,20-21,27H,10H2,1-7H3/t11-,12+,20-,21-/m1/s1 |
| SMILES | COC1=C(OC)C2=C(C=C1OC)[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](O)C1=CC3=C(OCO3)C(OC)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C25H30O9/c1-11-12(2)21(34-13(3)26)15-9-16(28-4)22(29-5)24(30-6)19(15)18-14(20(11)27)8-17-23(25(18)31-7)33-10-32-17/h8-9,11-12,20-21,27H,10H2,1-7H3/t11-,12+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]1[C@H:12]([CH3:2])[C@@H:21]([O:34][C:13]([CH3:3])=[O:26])[C:15]2=[C:19]([C:18]3=[C:25]([O:31][CH3:7])[C:23]4=[C:17]([CH:8]=[C:14]3[C@@H:20]1[OH:27])[O:32][CH2:10][O:33]4)[C:24]([O:30][CH3:6])=[C:22]([O:29][CH3:5])[C:16]([O:28][CH3:4])=[CH:9]2 |
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