| Properties | Image |
|---|
| MNX_ID | MNXM124012 |
 |
| reference | hmdb:HMDB0039452 |
| formula | C42H38O12 |
| global charge | 0 |
| mol weight | 734.754 |
| InChIKey | HJALWSMTAVUJGY-JBZHRJFQSA-N |
| InChI | InChI=1S/C42H38O12/c1-50-37-18-24(7-13-31(37)45)5-11-28(43)22-35(49)41-30(17-26-9-15-33(47)39(20-26)52-3)36(54-42(41)27-10-16-34(48)40(21-27)53-4)23-29(44)12-6-25-8-14-32(46)38(19-25)51-2/h5-23,41-43,45-48H,1-4H3/b11-5+,12-6+,28-22-,30-17-,36-23- |
| SMILES | COC1=CC(/C=C/C(O)=C/C(=O)C2C(=C\C3=CC(OC)=C(O)C=C3)/C(=C/C(=O)/C=C/C3=CC(OC)=C(O)C=C3)OC2C2=CC=C(O)C(OC)=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C42H38O12/c1-50-37-18-24(7-13-31(37)45)5-11-28(43)22-35(49)41-30(17-26-9-15-33(47)39(20-26)52-3)36(54-42(41)27-10-16-34(48)40(21-27)53-4)23-29(44)12-6-25-8-14-32(46)38(19-25)51-2/h5-23,41-43,45-48H,1-4H3/b11-5+,12-6+,28-22-,30-17-,36-23-/t41?,42? |
 |
| SMILES (mnx) | [CH3:1][O:50][C:37]1=[C:31]([OH:45])[CH:13]=[CH:7][C:24](/[CH:5]=[CH:11]/[C:28](=[CH:22]/[C:35]([CH:41]2[C:30](=[CH:17]\[C:26]3=[CH:20][C:39]([O:52][CH3:3])=[C:33]([OH:47])[CH:15]=[CH:9]3)/[C:36](=[CH:23]/[C:29](/[CH:12]=[CH:6]/[C:25]3=[CH:19][C:38]([O:51][CH3:2])=[C:32]([OH:46])[CH:14]=[CH:8]3)=[O:44])[O:54][CH:42]2[C:27]2=[CH:21][C:40]([O:53][CH3:4])=[C:34]([OH:48])[CH:16]=[CH:10]2)=[O:49])[OH:43])=[CH:18]1 |
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