| Properties | Image |
|---|
| MNX_ID | MNXM530971 |
 |
| reference | metacycM:CPD-14825 |
| formula | C27H30O16 |
| global charge | 0 |
| mol weight | 610.521 |
| InChIKey | LDTDRTSKWGQBAA-IPOZFMEPSA-N |
| InChI | InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([OH:29])=[C:12]([OH:30])[CH:3]=[C:9]1[C:15]1=[CH:6][C:14](=[O:32])[C:19]2=[C:13]([OH:31])[CH:4]=[C:10]([O:40][C@H:27]3[C@H:25]([OH:38])[C@@H:23]([OH:36])[C@H:21]([OH:34])[C@@H:18]([CH2:8][O:39][C@H:26]4[C@H:24]([OH:37])[C@@H:22]([OH:35])[C@H:20]([OH:33])[C@@H:17]([CH2:7][OH:28])[O:42]4)[O:43]3)[CH:5]=[C:16]2[O:41]1 |
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