| Properties | Image |
|---|
| MNX_ID | MNXM105751 |
 |
| reference | chebi:66083 |
| formula | C27H30O9 |
| global charge | 0 |
| mol weight | 498.528 |
| InChIKey | KIOQRWNZGHZFHB-UFZBKZSQSA-N |
| InChI | InChI=1S/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3/b13-7-/t14-,25-,27-/m0/s1 |
| SMILES | C/C=C(/C)C(=O)O[C@H]1C2=C(C(OC)=C3OCOC3=C2)C2=C(OC)C3=C(C=C2C[C@H](C)[C@]1(C)O)OCO3 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3/b13-7-/t14-,25-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:7]=[C:13](/[CH3:2])[C:26](=[O:28])[O:36][C@H:25]1[C:16]2=[C:20]([C:19]3=[C:23]([O:30][CH3:5])[C:21]4=[C:17]([CH:9]=[C:15]3[CH2:8][C@H:14]([CH3:3])[C@:27]1([CH3:4])[OH:29])[O:32][CH2:11][O:34]4)[C:24]([O:31][CH3:6])=[C:22]1[C:18](=[CH:10]2)[O:33][CH2:12][O:35]1 |
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