| Properties | Image |
|---|
| MNX_ID | MNXM1364315 |
 |
| reference | metacycM:CPD-18097 |
| formula | C35H34O18 |
| global charge | 0 |
| mol weight | 742.639 |
| InChIKey | XGQPXBKBCOHIQI-YONICNLVSA-N |
| InChI | InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C(O)=C1)OC[C@H]1O[C@@H](OC2=CC3=C([O-])C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/b6-2?/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:4][C:18]([OH:37])=[C:21]([OH:40])[CH:7]=[C:14]1[CH:2]=[CH:6][C:27]([O-:43])=[O+:48][CH2:13][C@@H:26]1[C@@H:29]([OH:45])[C@H:30]([OH:46])[C@@H:33]([O:53][C@H:34]2[C@H:31]([OH:47])[C@@H:28]([OH:44])[C@H:23]([OH:42])[CH2:12][O:49]2)[C@H:35]([O:51][C:25]2=[C:32]([C:15]3=[CH:8][C:22]([OH:41])=[C:19]([OH:38])[CH:5]=[CH:3]3)[O:50][C:24]3=[CH:10][C:16]([OH:36])=[CH:9][C:20](=[O:39])[C:17]3=[CH:11]2)[O:52]1 |
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