| Properties | Image |
|---|
| MNX_ID | MNXM737713 |
 |
| reference | metacycM:CPD-7074 |
| formula | C28H34O15 |
| global charge | 0 |
| mol weight | 610.565 |
| InChIKey | ARGKVCXINMKCAZ-VMUFPGRYSA-N |
| InChI | InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26?,27+,28+/m0/s1 |
| SMILES | COC1=C(O)C=C([C@@H]2CC(=O)C3=C(C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)C4O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C3O)O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26?,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:21]([OH:33])[C@@H:23]([OH:35])[C@@H:25]([OH:37])[C@@H:27]([O:43][CH:26]2[C@@H:24]([OH:36])[C@H:22]([OH:34])[C@@H:19]([CH2:9][OH:29])[O:42][C@H:28]2[O:40][C:12]2=[CH:6][C:14]([OH:31])=[C:20]3[C:15](=[O:32])[CH2:8][C@@H:17]([C:11]4=[CH:5][C:13]([OH:30])=[C:16]([O:38][CH3:2])[CH:4]=[CH:3]4)[O:41][C:18]3=[CH:7]2)[O:39]1 |
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