input word = C00047638

Metabolite InformationStructural formula
Name 12beta-Acetoxy-20-hydroxy-17-scalaren-19,20-olide
Formula C27H40O5
Mw 444.28757439
CAS RN 1189110-36-8
C_ID C00047638 ,
InChIKey XGUHKTYJYSGWBX-JGFJRWOVNA-N
InChICode InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h17-20,22,29H,7-14H2,1-6H3/t17-,18-,19+,20+,22-,25-,26-,27+/m0/s1
SMILES C1[C@]2([C@H](C(CC1)(C)C)CC[C@@]1([C@@H]2C[C@H]([C@]2([C@H]1CCC1=C2C(=O)O[C@@H]1O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios gumminae Ref.
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