input word = C00049976

Metabolite InformationStructural formula
Name Ageline B
Formula C31H43N6O2
Mw 531.34474966
CAS RN 88874-28-6
C_ID C00049976 ,
InChIKey RMQCUXMZENQTAP-MXIFJDNFNA-N
InChICode InChI=1S/C31H43N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25,33H,6,10-12,14-15,17-18H2,1-5H3,(H2,32,34,35)/b21-13+/t22-,25-,30+,31-/m0/s1
SMILES C1=C([C@]2([C@@H](CC1)[C@]([C@H](CC2)C)(C)CC/C(=C/Cn1cn(c2c1c(ncn2)N)C)/C)C)COC(=O)c1[nH]ccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
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OrganismAgelas sp.
ReferenceFu,J.Nat.Prod.,61,(1998),548