| Properties | Image |
|---|
| MNX_ID | MNXM47167 |
 |
| reference | lipidmapsM:LMPK12050047 |
| formula | C29H34O15 |
| global charge | 0 |
| mol weight | 622.576 |
| InChIKey | QNYSUNAGSZLWQE-NCGRWFEPSA-N |
| InChI | InChI=1S/C29H34O15/c1-38-16-6-3-12(7-18(16)39-2)15-11-40-17-8-13(4-5-14(17)21(15)32)41-29-26(37)27(23(34)20(10-31)43-29)44-28-25(36)24(35)22(33)19(9-30)42-28/h3-8,11,19-20,22-31,33-37H,9-10H2,1-2H3/t19-,20-,22-,23-,24+,25-,26-,27+,28+,29-/m1/s1 |
| SMILES | COC1=C(OC)C=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)=CC=C3C2=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H34O15/c1-38-16-6-3-12(7-18(16)39-2)15-11-40-17-8-13(4-5-14(17)21(15)32)41-29-26(37)27(23(34)20(10-31)43-29)44-28-25(36)24(35)22(33)19(9-30)42-28/h3-8,11,19-20,22-31,33-37H,9-10H2,1-2H3/t19-,20-,22-,23-,24+,25-,26-,27+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:38][C:16]1=[C:18]([O:39][CH3:2])[CH:7]=[C:12]([C:15]2=[CH:11][O:40][C:17]3=[C:14]([CH:5]=[CH:4][C:13]([O:41][C@H:29]4[C@H:26]([OH:37])[C@@H:27]([O:44][C@H:28]5[C@H:25]([OH:36])[C@@H:24]([OH:35])[C@H:22]([OH:33])[C@@H:19]([CH2:9][OH:30])[O:42]5)[C@H:23]([OH:34])[C@@H:20]([CH2:10][OH:31])[O:43]4)=[CH:8]3)[C:21]2=[O:32])[CH:3]=[CH:6]1 |
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