Details of TERNATIN D1
| IUPAC | [(2R,3S,4S,5R,6S)-6-[4-[(E)-3-[[(2R,3S,4S,5R,6S)-6-[5-[3-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-5-oxochromen-2-yl]-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[1-hydroxy-3-(4-oxocyclohexa-2,5-dien-1-ylidene)prop-1-enoxy]methyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]oxidanium |
| Canonical Smiles | C1=CC(=O)C=CC1=CC=C(O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C=CC(=O)OCC4C(C(C(C(O4)OC5=C(C(=CC(=C5)C6=C(C=C7C(=CC(=CC7=O)O)O6)OC8C(C(C(C(O8)COC(=O)CC(=O)O)O)O)O)OC9C(C(C(C(O9)COC(=O)C=CC1=CC=C(C=C1)OC1C(C(C(C(O1)C[O+]=C(C=CC1=CC=C(C=C1)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O |
| Inchi | BXNSJSZTRNGMSP-CMIBQNADSA-O |
| PubChem ID | 101063541 |
| Smiles | O=C(O)CC(=O)OCC1OC(Oc2cc3c(=O)cc(O)cc-3oc2-c2cc(OC3OC(COC(=O)C=Cc4ccc(OC5OC(COC(=O)C=Cc6ccc(O)cc6)C(O)C(O)C5O)cc4)C(O)C(O)C3O)c(O)c(OC3OC(COC(=O)C=Cc4ccc(OC5OC(COC(=[OH+])C=Cc6ccc(O)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%28%3DO%29cc%28O%29cc-3oc2-c2cc%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3DO%29C%3DCc6ccc%28O%29cc6%29C%28O%29C%28O%29C5O%29cc4%29C%28O%29C%28O%29C3O%29c%28O%29c%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3D%5BOH%20%5D%29C%3DCc6ccc%28O%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%28%3DO%29cc%28O%29cc-3oc2-c2cc%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3DO%29C%3DCc6ccc%28O%29cc6%29C%28O%29C%28O%29C5O%29cc4%29C%28O%29C%28O%29C3O%29c%28O%29c%28OC3OC%28COC%28%3DO%29C%3DCc4ccc%28OC5OC%28COC%28%3D%5BOH%20%5D%29C%3DCc6ccc%28O%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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