input word = C00028666

Metabolite InformationStructural formula
Name Neofolitispate 3
Formula C38H63N3O6
Mw 657.47168677
CAS RN 229160-52-5
C_ID C00028666 ,
InChIKey DUDPOWWATBYITC-QHERETLENA-N
InChICode InChI=1S/C38H63N3O6/c1-4-31-21-16-17-25-37(47-31)28-30-23-24-32-34(38(26-19-20-29(2)46-38)40-36(39-37)41(30)32)35(43)45-27-18-14-12-10-8-6-5-7-9-11-13-15-22-33(42)44-3/h16,21,29-32,34H,4-15,17-20,22-28H2,1-3H3,(H,39,40)/t29-,30+,31+,32-,34-,37+,38-/m1/s1
SMILES CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCC(=O)OC)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Neofolitispa dianchora Ref.
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