RefMet Compound Details
RefMet name | Okadaic acid | |
---|---|---|
Systematic name | (2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid | |
SMILES | C[C@@](O)(C[C@@H]1CC[C@@H](O)[C@]2(C=C(C)C[C@H](O2)[C@H](C)/C=C/[C@H]2CC[C@@]3(CCC4O[C@H]([C@@H](O)C[C@H](C)C5O[C@]6(CC[C@H]5C)CCCCO6)C(=C)[C@@H](O)C4O3)O2)O1)C(O)=O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 804.465992 (neutral) |