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 C1[C@@H](C(=O)[C@](/C=C/OC(=O)O[C@@]23[C@@H](/C=C/1)[C@@H](C(=C([C@H]2[C@@H](NC3=O)Cc1ccc(cc1)OC)C)C)O)(C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiDiatrypaceaeEutypella scoparia PSU-D44 Ref.
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