| Properties | Image |
|---|
| MNX_ID | MNXM744673 |
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| reference | biggM:cvm1gluc |
| formula | C30H37FNNaO11 |
| global charge | 0 |
| mol weight | 629.61 |
| InChIKey | XHZZKEJNVFHEFD-RRABGKBLSA-M |
| InChI | InChI=1S/C30H38FNO11.Na/c1-13(2)22-18(10-9-17(33)11-20(34)28(38)39)21(15-5-7-16(31)8-6-15)19(23(32-22)14(3)4)12-42-30-26(37)24(35)25(36)27(43-30)29(40)41;/h5-10,13-14,17,20,24-27,30,33-37H,11-12H2,1-4H3,(H,38,39)(H,40,41);/q;+1/p-1/b10-9+; |
| SMILES | CC(C)C1=NC(C(C)C)=C(COC2OC(C(=O)O)C(O)C(O)C2O)C(C2=CC=C(F)C=C2)=C1/C=C/C(O)CC(O)C(=O)O[Na] |
MNX internals
| InChI (mnx) | InChI=1/C30H38FNO11.Na/c1-13(2)22-18(10-9-17(33)11-20(34)28(38)39)21(15-5-7-16(31)8-6-15)19(23(32-22)14(3)4)12-42-30-26(37)24(35)25(36)27(43-30)29(40)41;/h5-10,13-14,17,20,24-27,30,33-37H,11-12H2,1-4H3,(H,38,39)(H,40,41);/q;+1/b10-9+;/t17?,20?,24?,25?,26?,27?,30?; |
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| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[C:22]1=[N:32][C:23]([CH:14]([CH3:3])[CH3:4])=[C:19]([CH2:12][O:42][CH:30]2[CH:26]([OH:37])[CH:24]([OH:35])[CH:25]([OH:36])[CH:27]([C:29](=[O:40])[OH:41])[O:43]2)[C:21]([C:15]2=[CH:6][CH:8]=[C:16]([F:31])[CH:7]=[CH:5]2)=[C:18]1/[CH:10]=[CH:9]/[CH:17]([CH2:11][CH:20]([C:28](=[O:38])[OH:39])[OH:34])[OH:33].[Na+:44] |
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