| Properties | Image |
|---|
| MNX_ID | MNXM21430 |
 |
| reference | metacycM:CPD-8009 |
| formula | C27H30O17 |
| global charge | 0 |
| mol weight | 626.52 |
| InChIKey | YOXWSUCVDVXAMX-LOZUMUMPSA-N |
| InChI | InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-13-5-9(30)4-12-16(13)19(35)25(24(40-12)8-1-2-10(31)11(32)3-8)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17?,18-,20+,21+,22?,23-,26?,27?/m1/s1 |
| SMILES | O=C1C2=C(OC3O[C@H](CO)C(O)[C@H](O)C3O)C=C(O)C=C2OC(C2=CC(O)=C(O)C=C2)=C1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-13-5-9(30)4-12-16(13)19(35)25(24(40-12)8-1-2-10(31)11(32)3-8)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17?,18-,20+,21+,22?,23-,26?,27?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:31])=[C:11]([OH:32])[CH:3]=[C:8]1[C:24]1=[C:25]([O:44][CH:27]2[C@H:23]([OH:39])[C@@H:21]([OH:37])[C@H:18]([OH:34])[C@@H:15]([CH2:7][OH:29])[O:43]2)[C:19](=[O:35])[C:16]2=[C:12]([CH:4]=[C:9]([OH:30])[CH:5]=[C:13]2[O:41][CH:26]2[CH:22]([OH:38])[C@@H:20]([OH:36])[CH:17]([OH:33])[C@@H:14]([CH2:6][OH:28])[O:42]2)[O:40]1 |
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