| Properties | Image |
|---|
| MNX_ID | MNXM113706 |
 |
| reference | chebi:67749 |
| formula | C42H50O15 |
| global charge | 0 |
| mol weight | 794.847 |
| InChIKey | MCELGDBIZYAJFT-GUDQYKIVSA-N |
| InChI | InChI=1S/C42H50O15/c1-21(2)42(56-27(8)46)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(54-26(7)45)39(9,57-37(49)29-18-14-11-15-19-29)34(53-25(6)44)31(40)35(42)55-36(48)28-16-12-10-13-17-28/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1 |
| SMILES | C=C(C)[C@@]1(OC(C)=O)[C@H](OC(=O)C2=CC=CC=C2)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)C3=CC=CC=C3)[C@@H](OC(C)=O)[C@@]3(O)[C@@H](C[C@H](C)[C@@H]3OC(C)=O)[C@@]2(O)[C@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C42H50O15/c1-21(2)42(56-27(8)46)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(54-26(7)45)39(9,57-37(49)29-18-14-11-15-19-29)34(53-25(6)44)31(40)35(42)55-36(48)28-16-12-10-13-17-28/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:21]([CH3:2])[C@:42]1([O:56][C:27]([CH3:8])=[O:46])[C@@H:32]([OH:47])[C@@H:23]([CH3:4])[C@:40]2([OH:50])[C@@H:30]3[CH2:20][C@H:22]([CH3:3])[C@H:33]([O:52][C:24]([CH3:5])=[O:43])[C@@:41]3([OH:51])[C@H:38]([O:54][C:26]([CH3:7])=[O:45])[C@:39]([CH3:9])([O:57][C:37]([C:29]3=[CH:18][CH:14]=[CH:11][CH:15]=[CH:19]3)=[O:49])[C@@H:34]([O:53][C:25]([CH3:6])=[O:44])[C@H:31]2[C@H:35]1[O:55][C:36]([C:28]1=[CH:16][CH:12]=[CH:10][CH:13]=[CH:17]1)=[O:48] |
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