input word = C00027698

Metabolite InformationStructural formula
Name 18-Deoxy-19,20-epoxycytochalasin Q
Xylobovatin
Formula C30H37NO6
Mw 507.26208792
CAS RN 189371-38-8
C_ID C00027698 ,
InChIKey ZVDZUUFSGNTNLH-SIUXZXQCNA-N
InChICode InChI=1S/C30H37NO6/c1-15-10-9-13-20-26-29(5,37-26)17(3)22-21(14-19-11-7-6-8-12-19)31-28(34)30(20,22)27(35-18(4)32)25-24(36-25)16(2)23(15)33/h6-9,11-13,15-17,20-22,24-27H,10,14H2,1-5H3,(H,31,34)/b13-9+/t15-,16+,17-,20-,21-,22-,24-,25+,26-,27+,29+,30-/m0/s1
SMILES [C@@H]1(C/C=C/[C@@H]2[C@@]3([C@@H]([C@H]4[C@H]([C@@H](C1=O)C)O4)OC(=O)C)[C@@H]([C@@H]([C@@]1([C@H]2O1)C)C)[C@@H](NC3=O)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe IPP L-His
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria hypoxylon Ref.
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