| Properties | Image |
|---|
| MNX_ID | MNXM24256 |
 |
| reference | lipidmapsM:LMPK12010398 |
| formula | C38H47O24 |
| global charge | 1 |
| mol weight | 887.77 |
| InChIKey | HVQCUCVOZXRGOG-ZFCVOABISA-O |
| InChI | InChI=1S/C38H46O24/c1-12-34(62-24(43)9-23(41)42)30(49)33(52)36(56-12)55-11-22-27(46)29(48)32(51)38(61-22)59-20-8-15-16(57-35(20)13-4-18(53-2)25(44)19(5-13)54-3)6-14(40)7-17(15)58-37-31(50)28(47)26(45)21(10-39)60-37/h4-8,12,21-22,26-34,36-39,45-52H,9-11H2,1-3H3,(H2-,40,41,42,44)/p+1/t12-,21+,22+,26+,27+,28-,29-,30-,31+,32+,33+,34-,36+,37+,38+/m0/s1 |
| SMILES | COC1=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](OC(=O)CC(=O)O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C38H46O24/c1-12-34(62-24(43)9-23(41)42)30(49)33(52)36(56-12)55-11-22-27(46)29(48)32(51)38(61-22)59-20-8-15-16(57-35(20)13-4-18(53-2)25(44)19(5-13)54-3)6-14(40)7-17(15)58-37-31(50)28(47)26(45)21(10-39)60-37/h4-8,12,21-22,26-34,36-39,45-52H,9-11H2,1-3H3,(H2-,40,41,42,44)/t12-,21+,22+,26+,27+,28-,29-,30-,31+,32+,33+,34-,36+,37+,38+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:12]1[C@H:34]([O:62][C:24]([CH2:9][C:23](=[O:41])[OH:42])=[O:43])[C@@H:30]([OH:49])[C@@H:33]([OH:52])[C@H:36]([O:55][CH2:11][C@@H:22]2[C@@H:27]([OH:46])[C@H:29]([OH:48])[C@@H:32]([OH:51])[C@H:38]([O:59][C:20]3=[CH:8][C:15]4=[C:16]([CH:6]=[C:14]([OH:40])[CH:7]=[C:17]4[O:58][C@H:37]4[C@H:31]([OH:50])[C@@H:28]([OH:47])[C@H:26]([OH:45])[C@@H:21]([CH2:10][OH:39])[O:60]4)[O+:57]=[C:35]3[C:13]3=[CH:4][C:18]([O:53][CH3:2])=[C:25]([O-:44])[C:19]([O:54][CH3:3])=[CH:5]3)[O:61]2)[O:56]1 |
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