input word = C00000565

Metabolite InformationStructural formula
Name Pravastatin
Formula C23H36O7
Mw 424.2461035
CAS RN 81093-37-0
C_ID C00000565 ,
InChIKey TUZYXOIXSAXUGO-QIRCRVOMNA-N
InChICode InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16-,17+,18-,19-,20-,22-/m0/s1
SMILES C1[C@@H](C=C2[C@H]([C@H]1OC(=O)[C@H](CC)C)[C@H]([C@H](C=C2)C)CC[C@H](O)C[C@@H](CC(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium citrinum Ref.
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OrganismPenicillium citrinum
ReferenceEndo,J.Antibiotics,29,(1976),1346