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 C1[C@@H]2[C@](CC(=O)[C@@H]1C)(CC[C@]1([C@]2(CC[C@@]2(C1=CC=C1C2=CC(=O)[C@@]2([C@]1(Oc1c(O2)c(c2c(c1)[C@]1(C(=CC2=O)[C@@]2([C@@](CC1)([C@H]1[C@@](CC2)(CC[C@](C1)(C(=O)OC)C)C)C)C)C)C)C)O)C)C)C)C
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 illicifolia Mart ex Reiss.
ReferenceItokawa,J.Nat.Med.,62,(2008),263