input word = C00045512

Metabolite InformationStructural formula
Name 12,13-Deoxyroridin E
(-)-12,13-Deoxyroridin E
Formula C29H38O7
Mw 498.26175357
CAS RN 333977-86-9
C_ID C00045512 ,
InChIKey QRZOAFBSHUOELI-JRPTXIDFNA-N
InChICode InChI=1S/C29H38O7/c1-18-10-12-29-17-34-27(32)15-19(2)11-13-33-22(21(4)30)8-6-7-9-26(31)36-24-16-23(35-25(29)14-18)20(3)28(24,29)5/h6-9,14-15,21-25,30H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7+,19-15+/t21-,22-,23-,24+,25-,28-,29-/m1/s1
SMILES C=C1[C@H]2CC3OC(=O)/C=C/C=C/[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
zoom in