| Properties | Image |
|---|
| MNX_ID | MNXM730857 |
 |
| reference | metacycM:CPD-9693 |
| formula | C29H32O16 |
| global charge | 0 |
| mol weight | 636.559 |
| InChIKey | KAZTVTFKDLJVBH-RXHUWYBMSA-N |
| InChI | InChI=1S/C29H32O16/c1-37-15-5-19-18(42-11-43-19)3-12(15)14-7-39-16-6-20(17(38-2)4-13(16)22(14)31)44-27-25(34)24(33)23(32)21(45-27)8-40-28-26(35)29(36,9-30)10-41-28/h3-7,21,23-28,30,32-36H,8-11H2,1-2H3/t21-,23+,24-,25+,26-,27+,28+,29+/m0/s1 |
| SMILES | COC1=CC2=C(C=C1O[C@@H]1O[C@@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C1=C(OC)C=C3OCOC3=C1)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C29H32O16/c1-37-15-5-19-18(42-11-43-19)3-12(15)14-7-39-16-6-20(17(38-2)4-13(16)22(14)31)44-27-25(34)24(33)23(32)21(45-27)8-40-28-26(35)29(36,9-30)10-41-28/h3-7,21,23-28,30,32-36H,8-11H2,1-2H3/t21-,23+,24-,25+,26-,27+,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:37][C:15]1=[CH:5][C:19]2=[C:18]([CH:3]=[C:12]1[C:14]1=[CH:7][O:39][C:16]3=[CH:6][C:20]([O:44][C@H:27]4[C@H:25]([OH:34])[C@@H:24]([OH:33])[C@H:23]([OH:32])[C@H:21]([CH2:8][O:40][C@H:28]5[C@H:26]([OH:35])[C@:29]([CH2:9][OH:30])([OH:36])[CH2:10][O:41]5)[O:45]4)=[C:17]([O:38][CH3:2])[CH:4]=[C:13]3[C:22]1=[O:31])[O:42][CH2:11][O:43]2 |
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