| Properties | Image |
|---|
| MNX_ID | MNXM1368230 |
 |
| reference | metacycM:CPD-16602 |
| formula | C34H34O18 |
| global charge | 0 |
| mol weight | 730.628 |
| InChIKey | MAKSAUYRROQEOB-POBDBQMVSA-N |
| InChI | InChI=1S/C34H34O18/c35-11-23-25(40)27(42)30(45)34(51-23)50-22-10-17-19(38)8-16(9-21(17)49-31(22)14-3-6-18(37)20(39)7-14)48-33-29(44)28(43)26(41)24(52-33)12-47-32(46)13-1-4-15(36)5-2-13/h1-10,23-30,33-35,40-45H,11-12H2,(H3-,36,37,38,39,46)/t23-,24-,25-,26-,27+,28+,29-,30-,33-,34-/m1/s1 |
| SMILES | O=C(OC[C@H]1O[C@@H](OC2=CC([O-])=C3C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C4=CC=C(O)C(O)=C4)=[O+]C3=C2)[C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H34O18/c35-11-23-25(40)27(42)30(45)34(51-23)50-22-10-17-19(38)8-16(9-21(17)49-31(22)14-3-6-18(37)20(39)7-14)48-33-29(44)28(43)26(41)24(52-33)12-47-32(46)13-1-4-15(36)5-2-13/h1-10,23-30,33-35,40-45H,11-12H2,(H3-,36,37,38,39,46)/t23-,24-,25-,26-,27+,28+,29-,30-,33-,34-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:15](=[O:36])[CH:5]=[CH:2][C:13]1=[C:32]([O-:46])[O:47][CH2:12][C@@H:24]1[C@@H:26]([OH:41])[C@H:28]([OH:43])[C@@H:29]([OH:44])[C@H:33]([O+:48]=[C:16]2[CH:8]=[C:19]([OH:38])[C:17]3=[CH:10][C:22]([O:50][C@H:34]4[C@H:30]([OH:45])[C@@H:27]([OH:42])[C@H:25]([OH:40])[C@@H:23]([CH2:11][OH:35])[O:51]4)=[C:31]([C:14]4=[CH:7][C:20]([OH:39])=[C:18]([OH:37])[CH:6]=[CH:3]4)[O:49][C:21]3=[CH:9]2)[O:52]1 |
|