input word = C00043371

Metabolite InformationStructural formula
Name Certonardosterol C2
Formula C28H48O5
Mw 464.35017464
CAS RN 681240-62-0
C_ID C00043371 ,
InChIKey CAJSDLMSCZXCNV-NJJSTNKZNA-N
InChICode InChI=1S/C28H48O5/c1-16(18(3)15-29)6-7-17(2)20-13-22(31)25-27(20,5)11-9-24-26(4)10-8-19(30)12-21(26)23(32)14-28(24,25)33/h6-7,16-25,29-33H,8-15H2,1-5H3/b7-6+/t16-,17+,18-,19+,20-,21-,22-,23+,24-,25-,26+,27-,28+/m1/s1
SMILES C[C@H](/C=C/[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[C@@H]3[C@@H](O)C[C@]12O)[C@H](C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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