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 C1O[C@H](/C=C/C=C/C(=O)O[C@@H]2[C@@]3([C@@]4(COC(=O)/C=C(/C1)\C)CCC(=C[C@H]4O[C@@H](C3=C)C2)C)C)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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