| Properties | Image |
|---|
| MNX_ID | MNXM12084 |
 |
| reference | chebi:81985 |
| formula | C43H54O17 |
| global charge | 0 |
| mol weight | 842.888 |
| InChIKey | JWAZCKHSPQPXAH-PUUBMBOKSA-N |
| InChI | InChI=1S/C43H54O17/c1-16-10-21-12-24(46)36-38(34(21)23(45)11-16)42(52)35-22(44)6-7-28(37(35)41(36)51)58-32-14-26(48)43(20(5)56-32)60-33-15-29(40(50)19(4)55-33)59-30-9-8-27(17(2)53-30)57-31-13-25(47)39(49)18(3)54-31/h6-7,10-11,17-20,24-27,29-33,39-40,43-50H,8-9,12-15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26+,27-,29+,30-,31-,32-,33-,39+,40+,43+/m0/s1 |
| SMILES | CC1=CC2=C(C(O)=C1)C1=C(C(=O)C3=C(O[C@H]4C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6CC[C@H](O[C@H]7C[C@@H](O)[C@H](O)[C@@H](C)O7)[C@H](C)O6)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)C=CC(O)=C3C1=O)[C@H](O)C2 |
MNX internals
| InChI (mnx) | InChI=1/C43H54O17/c1-16-10-21-12-24(46)36-38(34(21)23(45)11-16)42(52)35-22(44)6-7-28(37(35)41(36)51)58-32-14-26(48)43(20(5)56-32)60-33-15-29(40(50)19(4)55-33)59-30-9-8-27(17(2)53-30)57-31-13-25(47)39(49)18(3)54-31/h6-7,10-11,17-20,24-27,29-33,39-40,43-50H,8-9,12-15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26+,27-,29+,30-,31-,32-,33-,39+,40+,43+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16]1=[CH:10][C:21]2=[C:34]([C:23]([OH:45])=[CH:11]1)[C:38]1=[C:36]([C@H:24]([OH:46])[CH2:12]2)[C:41](=[O:51])[C:37]2=[C:28]([O:58][C@H:32]3[CH2:14][C@@H:26]([OH:48])[C@H:43]([O:60][C@H:33]4[CH2:15][C@@H:29]([O:59][C@H:30]5[CH2:9][CH2:8][C@H:27]([O:57][C@H:31]6[CH2:13][C@@H:25]([OH:47])[C@H:39]([OH:49])[C@@H:18]([CH3:3])[O:54]6)[C@H:17]([CH3:2])[O:53]5)[C@H:40]([OH:50])[C@@H:19]([CH3:4])[O:55]4)[C@@H:20]([CH3:5])[O:56]3)[CH:7]=[CH:6][C:22]([OH:44])=[C:35]2[C:42]1=[O:52] |
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