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 C=C1CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia madagascariensis Ref.
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