| Properties | Image |
|---|
| MNX_ID | MNXM42547 |
 |
| reference | keggC:C17897 |
| formula | C45H38O18 |
| global charge | 0 |
| mol weight | 866.781 |
| InChIKey | MOJZMWJRUKIQGL-LKMJJRCWSA-N |
| InChI | InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38+,39+,40-,41+,42+,43+/m0/s1 |
| SMILES | OC1=CC(O)=C2C(=C1)O[C@H](C1=CC(O)=C(O)C=C1)[C@H](O)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC(O)=C(O)C=C1)[C@@H](O)[C@@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC(O)=C(O)C=C1)[C@@H](O)C2 |
MNX internals
| InChI (mnx) | InChI=1/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38+,39+,40-,41+,42+,43+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:20]([OH:47])=[C:24]([OH:51])[CH:7]=[C:15]1[C@@H:41]1[C@@H:31]([OH:58])[CH2:12][C:19]2=[C:44]([C:34]([C@@H:38]3[C:36]4=[C:30]([OH:57])[CH:14]=[C:29]([OH:56])[C:35]([C@H:37]5[C:33]6=[C:27]([OH:54])[CH:10]=[C:18]([OH:46])[CH:11]=[C:32]6[O:61][C@H:42]([C:16]6=[CH:8][C:25]([OH:52])=[C:21]([OH:48])[CH:5]=[CH:2]6)[C@@H:39]5[OH:59])=[C:45]4[O:63][C@H:43]([C:17]4=[CH:9][C:26]([OH:53])=[C:22]([OH:49])[CH:6]=[CH:3]4)[C@H:40]3[OH:60])=[C:28]([OH:55])[CH:13]=[C:23]2[OH:50])[O:62]1 |
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