input word = C00029898

Metabolite InformationStructural formula
Name Cangorosin B
Isoxuxuarine F alpha
Formula C58H74O8
Mw 898.53836934
CAS RN 132059-99-5
C_ID C00029898 ,
InChIKey WSDTZULXIHRNHP-WQLLUFRINA-N
InChICode InChI=1S/C58H74O8/c1-32-26-41-49(4,30-38(32)60)19-23-53(8)40-15-14-34-35(51(40,6)20-24-54(41,53)9)28-44(61)58(63)57(34,12)65-39-27-36-45(33(2)46(39)66-58)37(59)29-42-52(36,7)21-25-56(11)43-31-50(5,47(62)64-13)17-16-48(43,3)18-22-55(42,56)10/h14-15,27-29,32,41,43,63H,16-26,30-31H2,1-13H3/t32-,41-,43-,48-,49+,50-,51?,52+,53-,54+,55-,56+,57?,58-/m1/s1
SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=CC=C8[C@@]7(C)CC[C@@]7(C)[C@@H]9C[C@@H](C)C(=O)C[C@]9(C)CC[C@]87C)[C@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus chuchuhuasca Ref.
PlantaeCelastraceaeMaytenus illicifolia Mart ex Reiss. Ref.
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OrganismMaytenus chuchuhuasca
ReferenceShirota,Chem.Pharm.Bull.,52,(2004),739