| Properties | Image |
|---|
| MNX_ID | MNXM125729 |
 |
| reference | hmdb:HMDB0040127 |
| formula | C48H42O14 |
| global charge | 0 |
| mol weight | 842.85 |
| InChIKey | LIMXEMROHIJDBW-DAFODLJHSA-N |
| InChI | InChI=1S/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-20-35(41-37(21-34)61-46(24-5-11-29(51)12-6-24)40(41)27-16-31(53)18-32(54)17-27)42-39-26(4-1-23-2-9-28(50)10-3-23)15-33(55)19-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+ |
| SMILES | OCC1OC(OC2=CC(C3C4=C(C=C(O)C=C4/C=C/C4=CC=C(O)C=C4)OC3C3=CC=C(O)C=C3)=C3C(=C2)OC(C2=CC=C(O)C=C2)C3C2=CC(O)=CC(O)=C2)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C48H42O14/c49-22-38-43(56)44(57)45(58)48(62-38)59-34-20-35(41-37(21-34)61-46(24-5-11-29(51)12-6-24)40(41)27-16-31(53)18-32(54)17-27)42-39-26(4-1-23-2-9-28(50)10-3-23)15-33(55)19-36(39)60-47(42)25-7-13-30(52)14-8-25/h1-21,38,40,42-58H,22H2/b4-1+/t38?,40?,42?,43?,44?,45?,46?,47?,48? |
 |
| SMILES (mnx) | [CH:1](=[CH:4]/[C:26]1=[CH:15][C:33]([OH:55])=[CH:19][C:36]2=[C:39]1[CH:42]([C:35]1=[C:41]3[C:37](=[CH:21][C:34]([O:59][CH:48]4[CH:45]([OH:58])[CH:44]([OH:57])[CH:43]([OH:56])[CH:38]([CH2:22][OH:49])[O:62]4)=[CH:20]1)[O:61][CH:46]([C:24]1=[CH:6][CH:12]=[C:29]([OH:51])[CH:11]=[CH:5]1)[CH:40]3[C:27]1=[CH:16][C:31]([OH:53])=[CH:18][C:32]([OH:54])=[CH:17]1)[CH:47]([C:25]1=[CH:8][CH:14]=[C:30]([OH:52])[CH:13]=[CH:7]1)[O:60]2)\[C:23]1=[CH:3][CH:10]=[C:28]([OH:50])[CH:9]=[CH:2]1 |
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