input word = C00041857

Metabolite InformationStructural formula
Name Scoparasin A
Formula C29H35NO8
Mw 525.2362671
CAS RN 488799-96-8
C_ID C00041857 ,
InChIKey UKXQRSOMKIGRCJ-SAYBJAJGNA-N
InChICode InChI=1S/C29H35NO8/c1-16-7-6-8-21-24(31)18(3)17(2)23-22(15-19-9-11-20(36-5)12-10-19)30-26(33)29(21,23)38-27(34)37-14-13-28(4,35)25(16)32/h6,8-14,16,21-24,31,35H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,21-,22-,23-,24+,28+,29-/m0/s1
SMILES COc1ccc(C[C@@H]2NC(=O)[C@@]34OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@H](O)C(C)=C(C)[C@@H]24)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiDiatrypaceaeEutypella scoparia PSU-D44 Ref.
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