input word = C00000277

Metabolite InformationStructural formula
Name Hallactone B
Formula C20H24O9S
Mw 440.1141031
CAS RN 35470-59-8
C_ID C00000277 ,
InChIKey AVQGMZMZZORTNF-BJCLJZFZNA-N
InChICode InChI=1S/C20H24O9S/c1-17-6-8-13(26-8)19(3)12(17)11(28-16(19)22)14-20(29-14)9(17)5-10(21)27-15(20)18(2,23)7-30(4,24)25/h5,8,11-15,23H,6-7H2,1-4H3/t8-,11+,12+,13-,14+,15+,17+,18-,19+,20-/m0/s1
SMILES [C@@H]12[C@@H]([C@@]3(C(=O)O[C@H]4[C@@H]5[C@]6(C(=CC(=O)O[C@@H]6[C@@](O)(CS(=O)(=O)C)C)[C@@](C1)([C@H]34)C)O5)C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaePodocarpus hallii Ref.
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