Details of Malabathrin D
| IUPAC | methyl 3,4,5-trihydroxy-2-[[(10R,11S,13R,14R,15S)-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-14-[3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,28,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-14-yl]oxy]benzoyl]oxy-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-20-yl]oxy]benzoate |
| Canonical Smiles | COC(=O)C1=CC(=C(C(=C1OC2=C(C(=C3C(=C2)C(=O)OC4C(C(OC(C4OC(=O)C5=CC(=C(C(=C5OC6=C(C(=C7C(=C6)C(=O)OC8C(C9C(COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O9)O)O)O)O)O)O)OC8OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C17)O)O)O)O)O)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C13)O)O)O)O)O)O)O)O |
| Inchi | JCMYUBOYYXHSQF-JIJLVTKQSA-N |
| PubChem ID | 101099430 |
| Smiles | COC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(OC(=O)c3cc(O)c(O)c(O)c3)OC(COC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c(c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OC3C5OC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)OCC5OC(OC(=O)c5cc(O)c(O)c(O)c5)C3OC4=O)C1OC2=O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1Oc1cc2c%28c%28O%29c1O%29-c1c%28cc%28O%29c%28O%29c1O%29C%28%3DO%29OC1C%28OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3%29OC%28COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3%29C%28OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3Oc3cc4c%28c%28O%29c3O%29-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OC3C5OC%28%3DO%29c6cc%28O%29c%28O%29c%28O%29c6-c6c%28cc%28O%29c%28O%29c6O%29C%28%3DO%29OCC5OC%28OC%28%3DO%29c5cc%28O%29c%28O%29c%28O%29c5%29C3OC4%3DO%29C1OC2%3DO/file?format=sdf&get3d=True -- COC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1Oc1cc2c%28c%28O%29c1O%29-c1c%28cc%28O%29c%28O%29c1O%29C%28%3DO%29OC1C%28OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3%29OC%28COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3%29C%28OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3Oc3cc4c%28c%28O%29c3O%29-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OC3C5OC%28%3DO%29c6cc%28O%29c%28O%29c%28O%29c6-c6c%28cc%28O%29c%28O%29c6O%29C%28%3DO%29OCC5OC%28OC%28%3DO%29c5cc%28O%29c%28O%29c%28O%29c5%29C3OC4%3DO%29C1OC2%3DO could not be loaded.
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