| Properties | Image |
|---|
| MNX_ID | MNXM12082 |
 |
| reference | chebi:81891 |
| formula | C37H44O14 |
| global charge | 0 |
| mol weight | 712.745 |
| InChIKey | RYRHTBKDZLGPGI-VATHHNCSSA-N |
| InChI | InChI=1S/C37H44O14/c1-14-9-18-11-22(41)31-33(29(18)21(40)10-14)36(45)30-20(39)5-7-24(32(30)35(31)44)49-27-12-23(42)37(17(4)48-27)51-28-13-25(34(43)16(3)47-28)50-26-8-6-19(38)15(2)46-26/h5,7,9-10,15-17,19,22-23,25-28,34,37-43H,6,8,11-13H2,1-4H3/t15-,16+,17+,19-,22+,23+,25+,26-,27-,28-,34+,37+/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](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/C37H44O14/c1-14-9-18-11-22(41)31-33(29(18)21(40)10-14)36(45)30-20(39)5-7-24(32(30)35(31)44)49-27-12-23(42)37(17(4)48-27)51-28-13-25(34(43)16(3)47-28)50-26-8-6-19(38)15(2)46-26/h5,7,9-10,15-17,19,22-23,25-28,34,37-43H,6,8,11-13H2,1-4H3/t15-,16+,17+,19-,22+,23+,25+,26-,27-,28-,34+,37+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[CH:9][C:18]2=[C:29]([C:21]([OH:40])=[CH:10]1)[C:33]1=[C:31]([C@H:22]([OH:41])[CH2:11]2)[C:35](=[O:44])[C:32]2=[C:24]([O:49][C@H:27]3[CH2:12][C@@H:23]([OH:42])[C@H:37]([O:51][C@H:28]4[CH2:13][C@@H:25]([O:50][C@H:26]5[CH2:8][CH2:6][C@H:19]([OH:38])[C@H:15]([CH3:2])[O:46]5)[C@H:34]([OH:43])[C@@H:16]([CH3:3])[O:47]4)[C@@H:17]([CH3:4])[O:48]3)[CH:7]=[CH:5][C:20]([OH:39])=[C:30]2[C:36]1=[O:45] |
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