input word = C00050772

Metabolite InformationStructural formula
Name beta-Hyodeoxycholic acid
Formula C24H40O4
Mw 392.29265977
CAS RN 570-84-3
C_ID C00050772
InChIKey ATPKITUUPMFPCQ-YJKDAQHBNA-N
InChICode InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
SMILES C[C@H](CCOC=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sus scrofa domestica Ref.
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