| Properties | Image |
|---|
| MNX_ID | MNXM1369447 |
 |
| reference | chebi:169094 |
| formula | C30H32O17 |
| global charge | 0 |
| mol weight | 664.569 |
| InChIKey | FZDRRQITRWLLCV-FDUHKKDTSA-N |
| InChI | InChI=1S/C30H32O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-8,11,19,23-32,37-41H,9-10H2,1H3,(H,34,35)/t11?,19?,23-,24+,25-,26-,27?,28?,29-,30+/m0/s1 |
| SMILES | CC1O[C@@H](OC2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H32O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-8,11,19,23-32,37-41H,9-10H2,1H3,(H,34,35)/t11?,19?,23-,24+,25-,26-,27?,28?,29-,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:11]1[C@H:23]([OH:37])[C@H:25]([OH:39])[CH:27]([OH:41])[C@H:29]([O:47][CH:28]2[C@@H:26]([OH:40])[C@H:24]([OH:38])[CH:19]([CH2:10][O:42][C:21]([CH2:9][C:20](=[O:34])[OH:35])=[O:36])[O:46][C@H:30]2[O:44][C:14]2=[CH:6][C:15]([OH:32])=[C:22]3[C:16](=[O:33])[CH:8]=[C:17]([C:12]4=[CH:3][CH:5]=[C:13]([OH:31])[CH:4]=[CH:2]4)[O:45][C:18]3=[CH:7]2)[O:43]1 |
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