Details of TERNATIN A2
| IUPAC | 3-[[(2S,3R,4S,5R,6R)-6-[5,7-dihydroxy-2-[4-hydroxy-3-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-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]oxyphenyl]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)CO)O)O)O)O)O)O)C9=[O+]C1=CC(=CC(=C1C=C9OC1C(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 | SIVINWHAEBFOIY-XLRMAADOSA-O |
| PubChem ID | 101063539 |
| Smiles | O=C(O)CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(OC3OC(COC(=O)C=Cc4ccc(OC5OC(CO)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 |
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