| Properties | Image |
|---|
| MNX_ID | MNXM113701 |
 |
| reference | chebi:67744 |
| formula | C38H44O12 |
| global charge | 0 |
| mol weight | 692.758 |
| InChIKey | DBZRNVHEUFWTLZ-SPQNPJFSSA-N |
| InChI | InChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3/t20-,21+,26+,27-,28-,29-,30-,31+,33+,34+,35-,36+,37-,38?/m0/s1 |
| SMILES | C=C(C)[C@@]1(O)[C@@H]2OC3(C4=CC=CC=C4)O[C@H]1[C@@H](C)[C@@]1(O3)[C@H]2[C@H](O)[C@@](C)(OC(=O)C2=CC=CC=C2)[C@@H](OC(C)=O)[C@@]2(O)[C@H]1C[C@H](C)[C@@H]2OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3/t20-,21+,26+,27-,28-,29-,30-,31+,33+,34+,35-,36+,37-,38?/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:19]([CH3:2])[C@:35]1([OH:43])[C@@H:30]2[C@@H:21]([CH3:4])[C@:37]34[C@@H:26]5[CH2:18][C@H:20]([CH3:3])[C@H:29]([O:45][C:22]([CH3:5])=[O:39])[C@@:36]5([OH:44])[C@H:33]([O:46][C:23]([CH3:6])=[O:40])[C@:34]([CH3:7])([O:49][C:32]([C:24]5=[CH:14][CH:10]=[CH:8][CH:11]=[CH:15]5)=[O:42])[C@@H:28]([OH:41])[C@H:27]3[C@H:31]1[O:48][C:38]([C:25]1=[CH:16][CH:12]=[CH:9][CH:13]=[CH:17]1)([O:47]2)[O:50]4 |
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