input word = C00045835

Metabolite InformationStructural formula
Name Demethylzeylasterone
Formula C29H36O7
Mw 496.2461035
CAS RN 87064-40-2
C_ID C00045835 ,
InChIKey IGEUWSSSLAVCIX-WLHIUIDRNA-N
InChICode InChI=1S/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36)/t19-,25-,26-,27+,28-,29+/m1/s1
SMILES c1(c(c(c2c(c1)[C@]1(C(=CC2=O)[C@@]2([C@@](CC1)([C@H]1[C@@](CC2)(CC[C@@](C1)(C)C(=O)O)C)C)C)C)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeKokoona zeylanica Ref.
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OrganismKokoona zeylanica
ReferenceFurbacher,J.Nat.Prod.,64,(2001),1294