input word = C00043369

Metabolite InformationStructural formula
Name Certonardosterol B3
Formula C26H44O5
Mw 436.31887452
CAS RN 781646-84-2
C_ID C00043369 ,
InChIKey BHGXXPKHMZXFLF-VKAMLVTINA-N
InChICode InChI=1S/C26H44O5/c1-14(13-27)5-6-15(2)18-12-21(30)22-16-11-20(29)23-24(31)19(28)8-10-25(23,3)17(16)7-9-26(18,22)4/h5-6,14-24,27-31H,7-13H2,1-4H3/b6-5+/t14-,15+,16-,17+,18-,19+,20+,21-,22-,23+,24+,25-,26-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](C[C@H]3O)[C@@H](C)/C=C/[C@H](CO)C)C)C[C@@H]([C@@H]1[C@@]2(CC[C@@H]([C@@H]1O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
zoom in