| Properties | Image |
|---|
| MNX_ID | MNXM56561 |
 |
| reference | lipidmapsM:LMPK12111143 |
| formula | C28H32O15 |
| global charge | 0 |
| mol weight | 608.549 |
| InChIKey | HZJDPVVMWCISAC-RDJJTCITSA-N |
| InChI | InChI=1S/C28H32O15/c1-10-19(31)22(34)24(36)27(40-10)39-9-17-20(32)23(35)25(37)28(43-17)42-16-8-15-18(21(33)26(16)38-2)13(30)7-14(41-15)11-3-5-12(29)6-4-11/h3-8,10,17,19-20,22-25,27-29,31-37H,9H2,1-2H3/t10-,17+,19-,20+,22+,23-,24+,25+,27+,28+/m0/s1 |
| SMILES | COC1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C=C3)=CC(=O)C2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C28H32O15/c1-10-19(31)22(34)24(36)27(40-10)39-9-17-20(32)23(35)25(37)28(43-17)42-16-8-15-18(21(33)26(16)38-2)13(30)7-14(41-15)11-3-5-12(29)6-4-11/h3-8,10,17,19-20,22-25,27-29,31-37H,9H2,1-2H3/t10-,17+,19-,20+,22+,23-,24+,25+,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:19]([OH:31])[C@@H:22]([OH:34])[C@@H:24]([OH:36])[C@H:27]([O:39][CH2:9][C@@H:17]2[C@@H:20]([OH:32])[C@H:23]([OH:35])[C@@H:25]([OH:37])[C@H:28]([O:42][C:16]3=[CH:8][C:15]4=[C:18]([C:13](=[O:30])[CH:7]=[C:14]([C:11]5=[CH:4][CH:6]=[C:12]([OH:29])[CH:5]=[CH:3]5)[O:41]4)[C:21]([OH:33])=[C:26]3[O:38][CH3:2])[O:43]2)[O:40]1 |
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