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 C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](C[C@H]3O)[C@@H](C)/C=C/[C@H]([C@@H](CO)C)C)C)C[C@@H]([C@@H]1[C@@]2(CC[C@@H](C1)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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