| Properties | Image |
|---|
| MNX_ID | MNXM47619 |
 |
| reference | chebi:3872 |
| formula | C42H32O9 |
| global charge | 0 |
| mol weight | 680.709 |
| InChIKey | WJBCPQVBWGTJNA-GUOLYAGMSA-N |
| InChI | InChI=1S/C42H32O9/c43-24-7-1-20(2-8-24)35-38(23-13-27(46)15-28(47)14-23)36(21-3-9-25(44)10-4-21)41-32-17-30(49)19-34(51)40(32)37(22-5-11-26(45)12-6-22)42(41)31-16-29(48)18-33(50)39(31)35/h1-19,35,37,41-51H/t35-,37+,41-,42+/m0/s1 |
| SMILES | OC1=CC=C(C2=C(C3=CC(O)=CC(O)=C3)[C@H](C3=CC=C(O)C=C3)C3=C(C=C(O)C=C3O)[C@@H]3[C@H](C4=CC=C(O)C=C4)C4=C(O)C=C(O)C=C4[C@@H]23)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C42H32O9/c43-24-7-1-20(2-8-24)35-38(23-13-27(46)15-28(47)14-23)36(21-3-9-25(44)10-4-21)41-32-17-30(49)19-34(51)40(32)37(22-5-11-26(45)12-6-22)42(41)31-16-29(48)18-33(50)39(31)35/h1-19,35,37,41-51H/t35-,37+,41-,42+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:24]([OH:43])=[CH:8][CH:2]=[C:20]1[C@H:35]1[C:38]([C:23]2=[CH:13][C:27]([OH:46])=[CH:15][C:28]([OH:47])=[CH:14]2)=[C:36]([C:21]2=[CH:4][CH:10]=[C:25]([OH:44])[CH:9]=[CH:3]2)[C@@H:41]2[C:32]3=[CH:17][C:30]([OH:49])=[CH:19][C:34]([OH:51])=[C:40]3[C@@H:37]([C:22]3=[CH:6][CH:12]=[C:26]([OH:45])[CH:11]=[CH:5]3)[C@H:42]2[C:31]2=[C:39]1[C:33]([OH:50])=[CH:18][C:29]([OH:48])=[CH:16]2 |
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