| Properties | Image |
|---|
| MNX_ID | MNXM1176370 |
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| reference | envipathM:...03c64fa383ab |
| formula | C22H24N2O10 |
| global charge | 0 |
| mol weight | 476.438 |
| InChIKey | OEQRTDUTWDYVJX-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H24N2O10/c1-21(33)6-4-7-14(24(2)3)17(29)12(20(23)32)19(31)22(7,34)18(30)10(6)16(28)11-8(25)5-9(26)15(27)13(11)21/h5-7,14,25-28,31,33-34H,4H2,1-3H3,(H2,23,32) |
| SMILES | CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(C(O)=C(O)C=C4O)C(C)(O)C3CC12 |
MNX internals
| InChI (mnx) | InChI=1/C22H24N2O10/c1-21(33)6-4-7-14(24(2)3)17(29)12(20(23)32)19(31)22(7,34)18(30)10(6)16(28)11-8(25)5-9(26)15(27)13(11)21/h5-7,14,25-28,31,33-34H,4H2,1-3H3,(H2,23,32)/t6?,7?,14?,21?,22? |
 |
| SMILES (mnx) | [CH3:1][C:21]1([OH:33])[CH:6]2[CH2:4][CH:7]3[CH:14]([N:24]([CH3:2])[CH3:3])[C:17](=[O:29])[C:12]([C:20](=[NH:23])[OH:32])=[C:19]([OH:31])[C:22]3([OH:34])[C:18](=[O:30])[C:10]2=[C:16]([OH:28])[C:11]2=[C:8]([OH:25])[CH:5]=[C:9]([OH:26])[C:15]([OH:27])=[C:13]21 |
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