input word = C00043614

Metabolite InformationStructural formula
Name Isoergosterone
Formula C28H42O
Mw 394.32356596
CAS RN 516-77-8
C_ID C00043614 ,
InChIKey LJNASASDNLCNOS-BWOVZGAQNA-N
InChICode InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,23-26H,11-16H2,1-6H3/b8-7+/t19-,20-,23-,24+,25-,26-,27-,28+/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@@H](C)/C=C/[C@@H](C(C)C)C)C)C=CC1=CC(=O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenochaetaceaePhellinus igniarius Ref.
--Phelinus igniarius Ref.
zoom in