| Properties | Image |
|---|
| MNX_ID | MNXM744701 |
 |
| reference | biggM:fvsgluc |
| formula | C30H33FNNaO10 |
| global charge | 0 |
| mol weight | 609.579 |
| InChIKey | QCUBOMYCHFTVHD-CALJPSDSSA-M |
| InChI | InChI=1S/C30H34FNO10.Na/c1-15(2)32-21-6-4-3-5-20(21)24(16-7-9-17(31)10-8-16)22(32)12-11-18(33)13-19(14-23(34)35)41-30-27(38)25(36)26(37)28(42-30)29(39)40;/h3-12,15,18-19,25-28,30,33,36-38H,13-14H2,1-2H3,(H,34,35)(H,39,40);/q;+1/p-1/b12-11+; |
| SMILES | CC(C)N1C2=CC=CC=C2C(C2=CC=C(F)C=C2)=C1/C=C/C(O)CC(CC(=O)O[Na])OC1OC(C(=O)O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C30H34FNO10.Na/c1-15(2)32-21-6-4-3-5-20(21)24(16-7-9-17(31)10-8-16)22(32)12-11-18(33)13-19(14-23(34)35)41-30-27(38)25(36)26(37)28(42-30)29(39)40;/h3-12,15,18-19,25-28,30,33,36-38H,13-14H2,1-2H3,(H,34,35)(H,39,40);/q;+1/b12-11+;/t18?,19?,25?,26?,27?,28?,30?; |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[N:32]1[C:21]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:20]2[C:24]([C:16]2=[CH:8][CH:10]=[C:17]([F:31])[CH:9]=[CH:7]2)=[C:22]1/[CH:12]=[CH:11]/[CH:18]([CH2:13][CH:19]([CH2:14][C:23](=[O:34])[OH:35])[O:41][CH:30]1[CH:27]([OH:38])[CH:25]([OH:36])[CH:26]([OH:37])[CH:28]([C:29](=[O:39])[OH:40])[O:42]1)[OH:33].[Na+:43] |
|