| Properties | Image |
|---|
| MNX_ID | MNXM1131136 |
 |
| reference | lipidmapsM:LMPR0102070048 |
| formula | C25H26O13 |
| global charge | 0 |
| mol weight | 534.47 |
| InChIKey | FCWMFHCKWKKWPV-VAYBDKCBSA-N |
| InChI | InChI=1S/C25H26O13/c26-17(9-6-12-4-2-1-3-5-12)35-11-16-18(27)19(28)20(29)23(37-16)38-24-25(34)14(7-8-15(25)22(32)33)13(10-36-24)21(30)31/h1-6,8-10,14,16,18-20,23-24,27-29,34H,7,11H2,(H,30,31)(H,32,33)/b9-6+/t14-,16-,18+,19+,20-,23+,24+,25-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=CC=C1)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC=C(C(=O)O)[C@@]23O)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H26O13/c26-17(9-6-12-4-2-1-3-5-12)35-11-16-18(27)19(28)20(29)23(37-16)38-24-25(34)14(7-8-15(25)22(32)33)13(10-36-24)21(30)31/h1-6,8-10,14,16,18-20,23-24,27-29,34H,7,11H2,(H,30,31)(H,32,33)/b9-6+/t14-,16-,18+,19+,20-,23+,24+,25-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12](/[CH:6]=[CH:9]/[C:17](=[O:26])[O:35][CH2:11][C@@H:16]2[C@H:18]([OH:27])[C@H:19]([OH:28])[C@@H:20]([OH:29])[C@H:23]([O:38][C@H:24]3[C@@:25]4([OH:34])[C@H:14]([CH2:7][CH:8]=[C:15]4[C:22](=[O:32])[OH:33])[C:13]([C:21](=[O:30])[OH:31])=[CH:10][O:36]3)[O:37]2)[CH:5]=[CH:3]1 |
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