| Properties | Image |
|---|
| MNX_ID | MNXM744457 |
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| reference | biggM:5ohfvsglu |
| formula | C30H33FNNaO11 |
| global charge | 0 |
| mol weight | 625.578 |
| InChIKey | VSLCCSHVBBLKGT-UHFFFAOYSA-M |
| InChI | InChI=1S/C30H34FNO11.Na/c1-14(2)32-21-10-8-19(42-30-27(39)25(37)26(38)28(43-30)29(40)41)13-20(21)24(15-3-5-16(31)6-4-15)22(32)9-7-17(33)11-18(34)12-23(35)36;/h3-10,13-14,17-18,25-28,30,33-34,37-39H,11-12H2,1-2H3,(H,35,36)(H,40,41);/q;+1/p-1 |
| SMILES | CC(C)N1C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C=C2C(C2=CC=C(F)C=C2)=C1C=CC(O)CC(O)CC(=O)O[Na] |
MNX internals
| InChI (mnx) | InChI=1/C30H34FNO11.Na/c1-14(2)32-21-10-8-19(42-30-27(39)25(37)26(38)28(43-30)29(40)41)13-20(21)24(15-3-5-16(31)6-4-15)22(32)9-7-17(33)11-18(34)12-23(35)36;/h3-10,13-14,17-18,25-28,30,33-34,37-39H,11-12H2,1-2H3,(H,35,36)(H,40,41);/q;+1/b9-7?;/t17?,18?,25?,26?,27?,28?,30?; |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[N:32]1[C:21]2=[C:20]([CH:13]=[C:19]([O:42][CH:30]3[CH:27]([OH:39])[CH:25]([OH:37])[CH:26]([OH:38])[CH:28]([C:29](=[O:40])[OH:41])[O:43]3)[CH:8]=[CH:10]2)[C:24]([C:15]2=[CH:4][CH:6]=[C:16]([F:31])[CH:5]=[CH:3]2)=[C:22]1[CH:9]=[CH:7][CH:17]([CH2:11][CH:18]([CH2:12][C:23](=[O:35])[OH:36])[OH:34])[OH:33].[Na+:44] |
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