| Properties | Image |
|---|
| MNX_ID | MNXM58924 |
 |
| reference | chebi:6110 |
| formula | C39H32O15 |
| global charge | 0 |
| mol weight | 740.67 |
| InChIKey | NWZBNZUABGSPSN-ZBBQFUFDSA-N |
| InChI | InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35-,36-,37-/m1/s1 |
| SMILES | O=C1C[C@H](C2=CC(O)=C(O)C=C2)C2=C(C=C(O)C3=C2O[C@H](C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]3C2=C(O)C=C(O)C3=C2O[C@H](C2=CC(O)=C(O)C=C2)[C@@H](O)C3)O1 |
MNX internals
| InChI (mnx) | InChI=1/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:19]([OH:40])=[C:23]([OH:44])[CH:7]=[C:14]1[C@H:17]1[CH2:11][C:30](=[O:50])[O:52][C:29]2=[CH:13][C:27]([OH:48])=[C:33]3[C@H:34]([C:32]4=[C:26]([OH:47])[CH:12]=[C:22]([OH:43])[C:18]5=[C:38]4[O:53][C@H:36]([C:15]4=[CH:8][C:24]([OH:45])=[C:20]([OH:41])[CH:5]=[CH:2]4)[C@@H:28]([OH:49])[CH2:10]5)[C@@H:35]([OH:51])[C@@H:37]([C:16]4=[CH:9][C:25]([OH:46])=[C:21]([OH:42])[CH:6]=[CH:3]4)[O:54][C:39]3=[C:31]12 |
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