input word = C00040041

Metabolite InformationStructural formula
Name Poliothyrsin
Formula C20H24O11
Mw 440.13186161
CAS RN 155545-02-1
C_ID C00040041 ,
InChIKey CONBSDUUQADCJD-UHFFFAOYNA-N
InChICode InChI=1S/C20H24O11/c21-8-13-15(24)16(25)17(26)18(31-13)30-12-5-4-11(22)7-10(12)9-29-19(27)20(28)6-2-1-3-14(20)23/h2,4-7,13,15-18,21-22,24-26,28H,1,3,8-9H2/t13-,15-,16+,17-,18-,20-/m1/s1
SMILES c1c(cc(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)COC(=O)[C@@]1(C(=O)CCC=C1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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OrganismItoa orientalis
ReferenceChai,J.Nat.Prod.,71,(2008),814