input word = C00044680

Metabolite InformationStructural formula
Name Cytochalasin Z4
Formula C29H37NO6
Mw 495.26208792
CAS RN 646502-48-9
C_ID C00044680 ,
InChIKey MCTQEULMNSKBJK-VONYMJGFNA-N
InChICode InChI=1S/C29H37NO6/c1-17-8-6-11-21(31)14-15-25(33)36-29-22(12-7-9-17)27(34)19(3)18(2)26(29)23(30-28(29)35)16-20-10-4-5-13-24(20)32/h4-5,7,10,12-15,17-18,21-23,26-27,31-32,34H,3,6,8-9,11,16H2,1-2H3,(H,30,35)/b12-7+,15-14+/t17-,18-,21-,22+,23+,26+,27-,29-/m1/s1
SMILES [C@@H]1([C@@H]2[C@]3([C@H]([C@@H](C1=C)O)/C=C/C[C@@H](CCC[C@H](/C=C/C(=O)O3)O)C)C(=O)N[C@H]2Cc1c(cccc1)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Asp
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma exigua var.heteromorpha Ref.
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OrganismPhoma exigua var.heteromorpha
ReferenceEvidente,J.Nat.Prod.,66,(2003),1540