| Properties | Image |
|---|
| MNX_ID | MNXM28840 |
 |
| reference | lipidmapsM:LMPK12010366 |
| formula | C30H35O18 |
| global charge | 1 |
| mol weight | 683.592 |
| InChIKey | BPHSJTQXYOIEMV-PWZIMACXSA-O |
| InChI | InChI=1S/C30H34O18/c1-10(32)43-9-20-23(37)25(39)27(41)29(48-20)45-16-6-12(33)5-15-13(16)7-18(46-30-26(40)24(38)22(36)19(8-31)47-30)28(44-15)11-3-14(34)21(35)17(4-11)42-2/h3-7,19-20,22-27,29-31,36-41H,8-9H2,1-2H3,(H2-,33,34,35)/p+1/t19-,20-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 |
| SMILES | COC1=CC(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C30H34O18/c1-10(32)43-9-20-23(37)25(39)27(41)29(48-20)45-16-6-12(33)5-15-13(16)7-18(46-30-26(40)24(38)22(36)19(8-31)47-30)28(44-15)11-3-14(34)21(35)17(4-11)42-2/h3-7,19-20,22-27,29-31,36-41H,8-9H2,1-2H3,(H2-,33,34,35)/t19-,20-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10](=[O:32])[O:43][CH2:9][C@@H:20]1[C@@H:23]([OH:37])[C@H:25]([OH:39])[C@@H:27]([OH:41])[C@H:29]([O:45][C:16]2=[CH:6][C:12]([OH:33])=[CH:5][C:15]3=[C:13]2[CH:7]=[C:18]([O:46][C@H:30]2[C@H:26]([OH:40])[C@@H:24]([OH:38])[C@H:22]([OH:36])[C@@H:19]([CH2:8][OH:31])[O:47]2)[C:28]([C:11]2=[CH:3][C:14]([OH:34])=[C:21]([O-:35])[C:17]([O:42][CH3:2])=[CH:4]2)=[O+:44]3)[O:48]1 |
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