input word = C00012632

Metabolite InformationStructural formula
Name Verrol (terpene)
[4beta,15(E)]-15-(5-Hydroxy-3-methyl-2-pentenoate) 12,13-epoxytrichothec-9-ene-4,15-diol
Formula C21H30O6
Mw 378.20423869
CAS RN 84412-91-9
C_ID C00012632 ,
InChIKey PZTXWUDHQJHJOJ-QZPQUESLNA-N
InChICode InChI=1S/C21H30O6/c1-13-4-6-20(11-25-18(24)9-14(2)5-7-22)16(8-13)27-17-10-15(23)19(20,3)21(17)12-26-21/h8-9,15-17,22-23H,4-7,10-12H2,1-3H3/b14-9+/t15-,16-,17?,19+,20-,21-/m1/s1
SMILES C1[C@]2([C@@H](C=C(C1)C)O[C@H]1[C@]3([C@]2([C@@H](C1)O)C)OC3)COC(=O)/C=C(\C)/CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium verrucaria Ref.
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