input word = C00041858

Metabolite InformationStructural formula
Name Scoparasin B
(-)-Scoparasin B
Formula C29H37NO9
Mw 543.24683179
CAS RN 888958-47-2
C_ID C00041858 ,
InChIKey YXSYADYLBHSOLA-MWOLTELDNA-N
InChICode InChI=1S/C29H37NO9/c1-16-7-6-8-20-24(32)28(4,36)17(2)22-21(15-18-9-11-19(37-5)12-10-18)30-25(33)29(20,22)39-26(34)38-14-13-27(3,35)23(16)31/h6,8-14,16-17,20-22,24,32,35-36H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,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)(O)[C@@H](C)[C@@H]24)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr
Organism
Kingdom Family Species Reference
FungiDiatrypaceaeEutypella scoparia PSU-D44 Ref.
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