input word = C00043374

Metabolite InformationStructural formula
Name Certonardosterol D4
Formula C28H48O4
Mw 448.35526002
CAS RN 681240-61-9
C_ID C00043374 ,
InChIKey DUCRVTKCYSCQLO-WOQSOCSANA-N
InChICode InChI=1S/C28H48O4/c1-16(18(3)15-29)6-7-17(2)22-14-25(32)26-20-13-24(31)23-12-19(30)8-10-27(23,4)21(20)9-11-28(22,26)5/h6-7,16-26,29-32H,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@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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OrganismCertonardoa semiregularis
ReferenceWang,J.Nat.Prod.,67,(2004),584