| Properties | Image |
|---|
| MNX_ID | MNXM26917 |
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| reference | lipidmapsM:LMPK12010371 |
| formula | C33H41O20 |
| global charge | 1 |
| mol weight | 757.671 |
| InChIKey | WIRDGPKKXIGASY-DZHPYKGLSA-O |
| InChI | InChI=1S/C33H40O20/c1-10-21(38)25(42)28(45)31(49-10)48-9-20-24(41)26(43)30(53-32-27(44)23(40)16(37)8-47-32)33(52-20)51-19-7-13-14(35)5-12(34)6-17(13)50-29(19)11-3-15(36)22(39)18(4-11)46-2/h3-7,10,16,20-21,23-28,30-33,37-38,40-45H,8-9H2,1-2H3,(H3-,34,35,36,39)/p+1/t10-,16+,20+,21-,23-,24+,25+,26-,27+,28+,30+,31+,32-,33+/m0/s1 |
| SMILES | COC1=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@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O)=CC(O)=CC3=[O+]2)=CC(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O20/c1-10-21(38)25(42)28(45)31(49-10)48-9-20-24(41)26(43)30(53-32-27(44)23(40)16(37)8-47-32)33(52-20)51-19-7-13-14(35)5-12(34)6-17(13)50-29(19)11-3-15(36)22(39)18(4-11)46-2/h3-7,10,16,20-21,23-28,30-33,37-38,40-45H,8-9H2,1-2H3,(H3-,34,35,36,39)/t10-,16+,20+,21-,23-,24+,25+,26-,27+,28+,30+,31+,32-,33+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:21]([OH:38])[C@@H:25]([OH:42])[C@@H:28]([OH:45])[C@H:31]([O:48][CH2:9][C@@H:20]2[C@@H:24]([OH:41])[C@H:26]([OH:43])[C@@H:30]([O:53][C@H:32]3[C@H:27]([OH:44])[C@@H:23]([OH:40])[C@H:16]([OH:37])[CH2:8][O:47]3)[C@H:33]([O:51][C:19]3=[CH:7][C:13]4=[C:14]([OH:35])[CH:5]=[C:12]([OH:34])[CH:6]=[C:17]4[O+:50]=[C:29]3[C:11]3=[CH:3][C:15]([OH:36])=[C:22]([O-:39])[C:18]([O:46][CH3:2])=[CH:4]3)[O:52]2)[O:49]1 |
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