| Properties | Image |
|---|
| MNX_ID | MNXM28969 |
 |
| reference | lipidmapsM:LMPK12110969 |
| formula | C29H34O15 |
| global charge | 0 |
| mol weight | 622.576 |
| InChIKey | SIWCLUVDCVTJDC-YUYUGGDUSA-N |
| InChI | InChI=1S/C29H34O15/c1-37-16-5-4-12(6-18(16)38-2)17-9-14(30)22-19(39-3)7-13(8-20(22)43-17)42-29-27(36)25(34)24(33)21(44-29)11-41-28-26(35)23(32)15(31)10-40-28/h4-9,15,21,23-29,31-36H,10-11H2,1-3H3/t15-,21-,23+,24-,25+,26-,27-,28+,29-/m1/s1 |
| SMILES | COC1=CC=C(C2=CC(=O)C3=C(OC)C=C(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C29H34O15/c1-37-16-5-4-12(6-18(16)38-2)17-9-14(30)22-19(39-3)7-13(8-20(22)43-17)42-29-27(36)25(34)24(33)21(44-29)11-41-28-26(35)23(32)15(31)10-40-28/h4-9,15,21,23-29,31-36H,10-11H2,1-3H3/t15-,21-,23+,24-,25+,26-,27-,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:37][C:16]1=[C:18]([O:38][CH3:2])[CH:6]=[C:12]([C:17]2=[CH:9][C:14](=[O:30])[C:22]3=[C:19]([O:39][CH3:3])[CH:7]=[C:13]([O:42][C@H:29]4[C@H:27]([OH:36])[C@@H:25]([OH:34])[C@H:24]([OH:33])[C@@H:21]([CH2:11][O:41][C@H:28]5[C@H:26]([OH:35])[C@@H:23]([OH:32])[C@H:15]([OH:31])[CH2:10][O:40]5)[O:44]4)[CH:8]=[C:20]3[O:43]2)[CH:4]=[CH:5]1 |
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