input word = C00011367

Metabolite InformationStructural formula
Name Ascochalasin
Formula C29H39NO4
Mw 465.28790874
CAS RN 116095-60-4
C_ID C00011367 ,
InChIKey UMLABRQRQZKXDI-ITDXXSTHNA-N
InChICode InChI=1S/C29H39NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)/b14-8+/t18-,19-,22-,23-,24+,26+,27-,29+/m1/s1
SMILES c1(C[C@@H]2NC(=O)[C@@]34[C@H]2[C@@H](C(=C)[C@H]([C@H]3/C=C/C[C@@H](CCC[C@H](CCC4=O)O)C)O)C)ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiIncertae sedisAscochyta heteromorpha Ref.
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