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FURNA

PDB CCD ID: 3J6
Number of entries in FURNA: 2
Chemical formula: C15 H20 O6
InChI: InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
InChIKey: LINOMUASTDIRTM-QGRHZQQGSA-N
SMILES: CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]34CO4)[C]2(CO)[CH](O)C1=O;
CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO;
O=C4C(=CC3OC2C1(OC1)C(CC2O)(C)C3(CO)C4O)C;
CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO;
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O
Name:(3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
ChEMBL: CHEMBL513300
ZINC: ZINC000005457778
Reference:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.

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