input word = C00047637

Metabolite InformationStructural formula
Name 12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide
Formula C27H40O6
Mw 460.28248901
CAS RN 1189110-35-7
C_ID C00047637 ,
InChIKey MFPOTKKSTPNPKG-RTROGEDLNA-N
InChICode InChI=1S/C27H40O6/c1-14(28)32-15-12-18-26(5)11-8-16-24(2,3)9-7-10-25(16,4)17(26)13-19(29)27(18,6)21-20(15)22(30)33-23(21)31/h15-19,22,29-30H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,22-,25-,26+,27+/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@]2(C)C2=C1C(O)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios gumminae Ref.
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OrganismHyrtios gumminae
ReferenceMahidol,J.Nat.Prod.,72,(2009),1870