input word = C00042078

Metabolite InformationStructural formula
Name 21-Acetoxydeoxyscalarin
Formula C29H44O6
Mw 488.31378914
CAS RN 153144-81-1
C_ID C00042078 ,
InChIKey MFJSUEVEAFGHEI-LARYDZAPNA-N
InChICode InChI=1S/C29H44O6/c1-17(30)34-16-26(3)11-7-12-27(4)20(26)10-13-28(5)21-9-8-19-15-33-25(32)24(19)29(21,6)23(14-22(27)28)35-18(2)31/h8,20-25,32H,7,9-16H2,1-6H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29+/m0/s1
SMILES C1[C@]2([C@H]([C@](CC1)(C)COC(=O)C)CC[C@]1([C@@H]2C[C@@H]([C@]2([C@H]1CC=C1[C@@H]2[C@@H](OC1)O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios erecta Ref.
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OrganismHyrtios erecta
ReferenceYoussef,J.Nat.Prod.,68,(2005),1782