| Properties | Image |
|---|
| MNX_ID | MNXM26316 |
 |
| reference | lipidmapsM:LMPK12010237 |
| formula | C28H33O15 |
| global charge | 1 |
| mol weight | 609.557 |
| InChIKey | ONQVTPMFYSRRLL-HUJUZFAXSA-O |
| InChI | InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1 |
| SMILES | COC1=C(O)C=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O)=CC(O)=CC3=[O+]2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:20]([OH:32])[C@@H:22]([OH:34])[C@@H:24]([OH:36])[C@H:27]([O:39][CH2:9][C@@H:19]2[C@@H:21]([OH:33])[C@H:23]([OH:35])[C@@H:25]([OH:37])[C@H:28]([O:42][C:18]3=[CH:8][C:13]4=[C:15]([O-:31])[CH:6]=[C:12]([OH:29])[CH:7]=[C:16]4[O+:41]=[C:26]3[C:11]3=[CH:5][C:17]([O:38][CH3:2])=[C:14]([OH:30])[CH:4]=[CH:3]3)[O:43]2)[O:40]1 |
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