| Properties | Image |
|---|
| MNX_ID | MNXM130240 |
 |
| reference | hmdb:HMDB0041291 |
| formula | C56H42O12 |
| global charge | 0 |
| mol weight | 906.94 |
| InChIKey | WZKKRZSJTLGPHH-IWQZZHSRSA-N |
| InChI | InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1- |
| SMILES | OC1=CC=C(C2OC3=C(C=C(/C=C\C4=CC(O)=CC5=C4C(C4=CC(O)=CC(O)=C4)C(C4=CC=C(O)C=C4)O5)C=C3)C2C2=C3C(=CC(O)=C2)OC(C2=CC=C(O)C=C2)C3C2=CC(O)=CC(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1-/t50?,51?,52?,54?,55?,56? |
 |
| SMILES (mnx) | [CH:1](=[CH:3]\[C:32]1=[CH:18][C:42]([OH:64])=[CH:26][C:47]2=[C:49]1[CH:50]([C:33]1=[CH:19][C:38]([OH:60])=[CH:23][C:39]([OH:61])=[CH:20]1)[CH:54]([C:29]1=[CH:5][CH:11]=[C:35]([OH:57])[CH:10]=[CH:4]1)[O:67]2)\[C:28]1=[CH:17][C:44]2=[C:46]([CH:16]=[CH:2]1)[O:66][CH:56]([C:31]1=[CH:9][CH:15]=[C:37]([OH:59])[CH:14]=[CH:8]1)[CH:52]2[C:45]1=[C:53]2[C:48](=[CH:27][C:43]([OH:65])=[CH:25]1)[O:68][CH:55]([C:30]1=[CH:7][CH:13]=[C:36]([OH:58])[CH:12]=[CH:6]1)[CH:51]2[C:34]1=[CH:21][C:40]([OH:62])=[CH:24][C:41]([OH:63])=[CH:22]1 |
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