input word = C00023793

Metabolite InformationStructural formula
Name 3-Ketodehydrosulfurenic acid
(Isolated and identified as methyl-3-ketodehydrosulfurenate)
Formula C31H46O4
Mw 482.33960996
CAS RN 38611-64-2
C_ID C00023793 ,
InChIKey OSACBIMFKXGCAD-PYTOOMOQNA-N
InChICode InChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-24,26,33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31-/m1/s1
SMILES C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeFomes officinalis Ref.
zoom in