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 CC(/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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