input word = C00012599

Metabolite InformationStructural formula
Name [4beta(2R,3R)]-Trichotheca-9,12-dien-4-ol, 5-(3-methyloxiranyl)-2,4-pentadienoate
Formula C23H30O4
Mw 370.21440945
CAS RN 85957-00-2
C_ID C00012599 ,
InChIKey XGEYKPJYISPKED-UHFFFAOYNA-N
InChICode InChI=1S/C23H30O4/c1-14-10-11-22(4)19(12-14)26-18-13-20(23(22,5)15(18)2)27-21(24)9-7-6-8-17-16(3)25-17/h6-9,12,16-20H,2,10-11,13H2,1,3-5H3/b8-6+,9-7+/t16-,17-,18+,19+,20+,22-,23+/m1/s1
SMILES C1[C@@]2([C@H](C=C(C1)C)O[C@H]1C[C@@H]([C@]2(C)C1=C)OC(=O)/C=C/C=C/[C@H]1O[C@@H]1C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium verrucaria Ref.
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OrganismMyrothecium verrucaria
ReferenceJarvis,J.Org.Chem.,48,(1983),2576