input word = C00016266

Metabolite InformationStructural formula
Name Staplabin
Formula C28H39NO6
Mw 485.27773799
CAS RN 183006-79-3
C_ID C00016266 ,
InChIKey PREWWCBUIKRUIM-YBFXNURJNA-N
InChICode InChI=1S/C28H39NO6/c1-18(2)9-7-10-19(3)11-8-13-28(4)24(31)16-21-23(30)15-20-22(26(21)35-28)17-29(27(20)34)14-6-5-12-25(32)33/h9,11,15,24,30-31H,5-8,10,12-14,16-17H2,1-4H3,(H,32,33)/b19-11+/t24-,28-/m0/s1
SMILES CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(CCCCC(=O)O)C3=O)CC1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
--Stachybotrys microspora IFO 30018 Ref.
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