input word = C00050201

Metabolite InformationStructural formula
Name Polyandrol
(+)-Polyandrol
Formula C19H24O8
Mw 380.14711774
CAS RN 165074-72-6
C_ID C00050201 ,
InChIKey IRGXOUHTTCDCTK-SVYYMYEINA-N
InChICode InChI=1S/C19H24O8/c1-7-4-10(20)27-14(7)17(3)5-9-18-6-25-19(24,16(17)18)13(22)8(2)11(18)12(21)15(23)26-9/h4,8-9,11-14,16,21-22,24H,5-6H2,1-3H3/t8-,9-,11-,12-,13-,14+,16-,17-,18+,19+/m1/s1
SMILES CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]32[C@@H]14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Simba cedron Ref.
zoom in



OrganismSimba cedron
ReferenceOzeki,J.Nat.Prod.,61,(1998),776