input word = C00042166

Metabolite InformationStructural formula
Name 6-Oxoisoiguesterin
Formula C28H36O3
Mw 420.26644502
CAS RN 848155-54-4
C_ID C00042166 ,
InChIKey XVIQCCFXDXUXNE-UNHAGIQPNA-N
InChICode InChI=1S/C28H36O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h14-15,21,30-31H,1,7-13H2,2-6H3/t21-,25-,26+,27+,28-/m1/s1
SMILES c1c2c(c(c(c1O)O)C)C(=O)C=C1[C@]2(CC[C@@]2([C@@]1(CC[C@@]1([C@H]2CC(=C)CC1)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia madagascariensis Ref.
zoom in



OrganismSalacia madagascariensis
ReferenceThiem,J.Nat.Prod.,68,(2005),251