| Properties | Image |
|---|
| MNX_ID | MNXM42393 |
 |
| reference | lipidmapsM:LMPK12110393 |
| formula | C33H40O20 |
| global charge | 0 |
| mol weight | 756.663 |
| InChIKey | BBASQFOHFSQHNF-QCYUAZGFSA-N |
| InChI | InChI=1S/C33H40O20/c34-8-18-22(40)25(43)28(46)31(49-18)52-30-27(45)24(42)20(10-36)51-33(30)53-29-26(44)23(41)19(9-35)50-32(29)47-13-5-14(38)21-15(39)7-16(48-17(21)6-13)11-1-3-12(37)4-2-11/h1-7,18-20,22-38,40-46H,8-10H2/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C33H40O20/c34-8-18-22(40)25(43)28(46)31(49-18)52-30-27(45)24(42)20(10-36)51-33(30)53-29-26(44)23(41)19(9-35)50-32(29)47-13-5-14(38)21-15(39)7-16(48-17(21)6-13)11-1-3-12(37)4-2-11/h1-7,18-20,22-38,40-46H,8-10H2/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:37])=[CH:4][CH:2]=[C:11]1[C:16]1=[CH:7][C:15](=[O:39])[C:21]2=[C:14]([OH:38])[CH:5]=[C:13]([O:47][C@H:32]3[C@H:29]([O:53][C@H:33]4[C@H:30]([O:52][C@H:31]5[C@H:28]([OH:46])[C@@H:25]([OH:43])[C@H:22]([OH:40])[C@@H:18]([CH2:8][OH:34])[O:49]5)[C@@H:27]([OH:45])[C@H:24]([OH:42])[C@@H:20]([CH2:10][OH:36])[O:51]4)[C@@H:26]([OH:44])[C@H:23]([OH:41])[C@@H:19]([CH2:9][OH:35])[O:50]3)[CH:6]=[C:17]2[O:48]1 |
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