input word = C00043366

Metabolite InformationStructural formula
Name Certonardosterol A3
Formula C27H48O6
Mw 468.34508927
CAS RN 781646-85-3
C_ID C00043366 ,
InChIKey MTSTUXPJLVKFMK-JJEJGSRONA-N
InChICode InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)17-12-19(30)24-25(17,3)11-9-21-26(4)10-8-18(29)23(32)22(26)20(31)13-27(21,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26+,27-/m0/s1
SMILES C[C@H](CO)CCC[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
zoom in