input word = C00054725

Metabolite InformationStructural formula
Name 12-Acetoxy-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-oic acid
Formula C29H40O8
Mw 516.27231825
CAS RN 98665-17-9
C_ID C00054725
InChIKey ASPCIAWQVXVATP-VWXYMJEFSA-N
InChICode InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,19+,25-,27+,28+,29+/m1/s1
SMILES C[C@]([C@]1(C)[C@H](OC(C)=O)C2=O)(C(C[C@@]1([C@H](C)CCC(O)=O)[H])=O)C3=C2[C@]4(C)[C@](CC3=O)([H])C(C)(C)[C@@H](O)CC4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGanodermataceaeGanoderma lucidum Ref.
zoom in