input word = C00012673

Metabolite InformationStructural formula
Name (2'E)-2',3'-Didehydro-2'-deoxy-13'-hydroxyverrucarin A
PD 113,325
Formula C27H32O9
Mw 500.20463262
CAS RN 90297-50-0
C_ID C00012673 ,
InChIKey OQVXFAVSMVQTMH-ZAAIIQNBNA-N
InChICode InChI=1S/C27H32O9/c1-17-7-9-26-15-33-24(31)12-18(14-28)8-10-32-22(29)5-3-4-6-23(30)36-19-13-21(35-20(26)11-17)27(16-34-27)25(19,26)2/h3-6,11-12,19-21,28H,7-10,13-16H2,1-2H3/b5-3+,6-4+,18-12+/t19-,20-,21-,25-,26-,27+/m0/s1
SMILES CC1=CC2OC3CC4OC(=O)/C=C/C=C/C(=O)OCC/C(CO)=C/C(=O)OCC2(CC1)C4(C)C31CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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