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| Standard English name | |
|---|---|
| Cas No. | 162895-32-1 |
| Alias | α-D-Galactopyranuronamide, O-β-D-glucopyranosyl-(1→6)-O-[O-[N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-β-D-galactopyranuronamidosyl]-(1→4)-2-(acetylamino)-2,6-dideoxy-β-D-glucopyranosyl-(1→4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-, 3-carbamate 1-[(2R)-2-carboxy-2-[[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,13,17-nonadecatetraen-1-yl]oxy]ethyl hydrogen phosphate] |
| Canonical Smiles | CC(C)=CCCC(C)=CCC(=C)CCC(C)(C)C=CCCC(C)=CCOC(COP(O)(=O)OC1OC(C(O)C(OC(N)=O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(O)C(O)C3O)C(=O)NC3C(=O)CCC=3O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(N)=O)C(O)=O |
| MDL No. | |
| Exact Mass | 1,567.64569 |
| Smiles | O=C(O)C(OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)COP(=O)(O)OC1OC(C(=O)N)C(O)C(OC(=O)N)C1OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC4OC(C)C(OC5OC(C(=O)NC=6C(=O)CCC6O)C(O)C(O)C5O)C(O)C4NC(=O)C)C(O)C2NC(=O)C |
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| Inchi | InChI=1S/C68H106N5O34P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-68(9,10)23-12-11-15-31(4)22-25-95-40(61(90)91)28-97-108(93,94)107-66-58(55(106-67(70)92)52(87)56(103-66)59(69)88)105-63-43(72-35(8)76)46(81)54(39(100-63)27-96-64-50(85)47(82)44(79)38(26-74)99-64)102-62-42(71-34(7)75)45(80)53(33(6)98-62)101-65-51(86)48(83)49(84)57(104-65)60(89)73-41-36(77)19-20-37(41)78/h12,14,17,22-23,33,38-40,42-58,62-66,74,77,79-87H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,69,88)(H2,70,92)(H,71,75)(H,72,76)(H,73,89)(H,90,91)(H,93,94) |
| InchiKey | SHSXEDBTKZLLOJ-UHFFFAOYSA-N |
| Remark |
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