| Properties | Image |
|---|
| MNX_ID | MNXM8515 |
 |
| reference | metacycM:CPD-9677 |
| formula | C29H34O12 |
| global charge | 0 |
| mol weight | 574.579 |
| InChIKey | YRUIPRJNLCHFCW-JPRGKZKNSA-N |
| InChI | InChI=1S/C29H34O12/c1-12(10-38-29-27(34)26(33)25(32)21(9-30)41-29)17-7-15-16(39-17)5-4-13-24(31)23-14-6-19(35-2)20(36-3)8-18(14)37-11-22(23)40-28(13)15/h4-6,8,17,21-27,29-34H,1,7,9-11H2,2-3H3/t17-,21-,22?,23?,24+,25-,26+,27-,29-/m1/s1 |
| SMILES | C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC2=C3OC4COC5=CC(OC)=C(OC)C=C5C4[C@@H](O)C3=CC=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C29H34O12/c1-12(10-38-29-27(34)26(33)25(32)21(9-30)41-29)17-7-15-16(39-17)5-4-13-24(31)23-14-6-19(35-2)20(36-3)8-18(14)37-11-22(23)40-28(13)15/h4-6,8,17,21-27,29-34H,1,7,9-11H2,2-3H3/t17-,21-,22?,23?,24+,25-,26+,27-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:12]([CH2:10][O:38][C@H:29]1[C@H:27]([OH:34])[C@@H:26]([OH:33])[C@H:25]([OH:32])[C@@H:21]([CH2:9][OH:30])[O:41]1)[C@H:17]1[CH2:7][C:15]2=[C:16]([CH:5]=[CH:4][C:13]3=[C:28]2[O:40][CH:22]2[CH2:11][O:37][C:18]4=[CH:8][C:20]([O:36][CH3:3])=[C:19]([O:35][CH3:2])[CH:6]=[C:14]4[CH:23]2[C@H:24]3[OH:31])[O:39]1 |
|