input word = C00041544

Metabolite InformationStructural formula
Name Gibberoketosterol C
(-)-Gibberoketosterol C
Formula C28H44O3
Mw 428.32904527
CAS RN 911366-25-1
C_ID C00041544 ,
InChIKey SMIJQQDUOZGITI-VLSCTVFKNA-N
InChICode InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-15-25(30)24-13-19(29)14-26(31)28(24,6)23(20)11-12-27(21,22)5/h7-8,16,18-24,26,29,31H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19+,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@H](/C=C/C(=C)C(C)C)C)C)CC(=O)[C@@H]1[C@@]2([C@H](C[C@@H](C1)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia gibberosa Ref.
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OrganismSinularia gibberosa
ReferenceAhmed,J.Nat.Prod.,69,(2006),1275