| Properties | Image |
|---|
| MNX_ID | MNXM25140 |
 |
| reference | lipidmapsM:LMPK12010427 |
| formula | C24H23O15 |
| global charge | 1 |
| mol weight | 551.433 |
| InChIKey | WFOUPMJWHMPTML-ZRYVYJFNSA-O |
| InChI | InChI=1S/C24H22O15/c25-10-2-1-8(3-11(10)26)23-14(4-9-13(37-23)5-12(27)19(32)18(9)31)38-24-22(35)21(34)20(33)15(39-24)7-36-17(30)6-16(28)29/h1-5,15,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,31,32)/p+1/t15-,20-,21+,22-,24-/m1/s1 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C(O)=C3)[O+]=C3C=C(O)C(O)=C(O)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C24H22O15/c25-10-2-1-8(3-11(10)26)23-14(4-9-13(37-23)5-12(27)19(32)18(9)31)38-24-22(35)21(34)20(33)15(39-24)7-36-17(30)6-16(28)29/h1-5,15,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,31,32)/t15-,20-,21+,22-,24-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:25])=[C:11]([OH:26])[CH:3]=[C:8]1[C:23]1=[C:14]([O:38][C@H:24]2[C@H:22]([OH:35])[C@@H:21]([OH:34])[C@H:20]([OH:33])[C@@H:15]([CH2:7][O:36][C:17]([CH2:6][C:16](=[O:28])[OH:29])=[O:30])[O:39]2)[CH:4]=[C:9]2[C:13](=[O+:37]1)[CH:5]=[C:12]([OH:27])[C:19]([O-:32])=[C:18]2[OH:31] |
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