| Properties | Image |
|---|
| MNX_ID | MNXM42345 |
 |
| reference | lipidmapsM:LMPK12110369 |
| formula | C30H26O12 |
| global charge | 0 |
| mol weight | 578.526 |
| InChIKey | UTUISHMYVAZILQ-BYJCKKJLSA-N |
| InChI | InChI=1S/C30H26O12/c31-14-24-29(42-25(36)10-3-15-1-6-17(32)7-2-15)27(37)28(38)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2/b10-3+/t24-,27-,28-,29-,30-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(C4=CC=C(O)C=C4)O3)C(O)=C2)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C30H26O12/c31-14-24-29(42-25(36)10-3-15-1-6-17(32)7-2-15)27(37)28(38)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2/b10-3+/t24-,27-,28-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:6][C:17]([OH:32])=[CH:7][CH:2]=[C:15]1/[CH:3]=[CH:10]/[C:25](=[O:36])[O:42][C@@H:29]1[C@@H:24]([CH2:14][OH:31])[O:41][C@@H:30]([O:39][C:19]2=[CH:11][C:20]([OH:34])=[C:26]3[C:21](=[O:35])[CH:13]=[C:22]([C:16]4=[CH:5][CH:9]=[C:18]([OH:33])[CH:8]=[CH:4]4)[O:40][C:23]3=[CH:12]2)[C@H:28]([OH:38])[C@H:27]1[OH:37] |
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