Details of TERNATIN A1
| IUPAC | 3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy]phenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Canonical Smiles | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C=CC(=O)OCC4C(C(C(C(O4)OC5=CC(=CC(=C5O)OC6C(C(C(C(O6)COC(=O)C=CC7=CC=C(C=C7)OC8C(C(C(C(O8)COC(=O)C=CC9=CC=C(C=C9)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O)C1=[O+]C2=CC(=CC(=C2C=C1OC1C(C(C(C(O1)COC(=O)CC(=O)O)O)O)O)O)O)O)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O |
| Inchi | VELNJBNYLCFDCI-YQPKVBFISA-O |
| PubChem ID | 16173494 |
| Smiles | O=C(O)CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(OC3OC(COC(=O)C=Cc4ccc(OC5OC(COC(=O)C=Cc6ccc(OC7OC(CO)C(O)C(O)C7O)cc6)C(O)C(O)C5O)cc4)C(O)C(O)C3O)c(O)c(OC3OC(COC(=O)C=Cc4ccc(OC5OC(COC(=O)C=Cc6ccc(OC7OC(CO)C(O)C(O)C7O)cc6)C(O)C(O)C5O)cc4)C(O)C(O)C3O)c2)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28O%29CC%28%3DO%29OCC1OC%28Oc2cc3c%28O%29cc%28O%29cc3%5Bo%20%5Dc2-c2cc%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3DO%29C%3DCc6ccc%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29cc6%29C%28O%29C%28O%29C5O%29cc4%29C%28O%29C%28O%29C3O%29c%28O%29c%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3DO%29C%3DCc6ccc%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29cc6%29C%28O%29C%28O%29C5O%29cc4%29C%28O%29C%28O%29C3O%29c2%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- O%3DC%28O%29CC%28%3DO%29OCC1OC%28Oc2cc3c%28O%29cc%28O%29cc3%5Bo%20%5Dc2-c2cc%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3DO%29C%3DCc6ccc%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29cc6%29C%28O%29C%28O%29C5O%29cc4%29C%28O%29C%28O%29C3O%29c%28O%29c%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3DO%29C%3DCc6ccc%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29cc6%29C%28O%29C%28O%29C5O%29cc4%29C%28O%29C%28O%29C3O%29c2%29C%28O%29C%28O%29C1O could not be loaded.
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