| Properties | Image |
|---|
| MNX_ID | MNXM114692 |
 |
| reference | metacycM:CPD-14995 |
| formula | C39H32O15 |
| global charge | 0 |
| mol weight | 740.67 |
| InChIKey | JYRGUBRIXDOXKK-GFKRHWKYSA-N |
| InChI | InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-37(53-31(46)16-6-21-3-11-24(41)12-4-21)34(48)35(49)39(52-29)54-38-33(47)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,34-35,37,39-44,48-49H,19H2/b15-5+,16-6+/t29-,34-,35-,37-,39+/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C1=CC=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-37(53-31(46)16-6-21-3-11-24(41)12-4-21)34(48)35(49)39(52-29)54-38-33(47)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,34-35,37,39-44,48-49H,19H2/b15-5+,16-6+/t29-,34-,35-,37-,39+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:9][C:23]([OH:40])=[CH:10][CH:2]=[C:20]1/[CH:5]=[CH:15]/[C:30](=[O:45])[O:50][CH2:19][C@@H:29]1[C@@H:37]([O:53][C:31](/[CH:16]=[CH:6]/[C:21]2=[CH:4][CH:12]=[C:24]([OH:41])[CH:11]=[CH:3]2)=[O:46])[C@H:34]([OH:48])[C@@H:35]([OH:49])[C@H:39]([O:54][C:38]2=[C:36]([C:22]3=[CH:8][CH:14]=[C:25]([OH:42])[CH:13]=[CH:7]3)[O:51][C:28]3=[CH:18][C:26]([OH:43])=[CH:17][C:27]([OH:44])=[C:32]3[C:33]2=[O:47])[O:52]1 |
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