input word = C00047128

Metabolite InformationStructural formula
Name Xerophilusin C
Formula C20H28O6
Mw 364.18858863
CAS RN 272459-38-8
C_ID C00047128 ,
InChIKey CAWHJWGTBIGGQR-MUQXDNMJNA-N
InChICode InChI=1S/C20H28O6/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)14(23)20(24)19(10,13(8)22)15(9)25-16(18)26-20/h8-12,14-16,21,23-24H,4-7H2,1-3H3/t8-,9-,10-,11-,12+,14-,15-,16-,18-,19-,20+/m0/s1
SMILES [C@@H]12[C@]34[C@@H]5CC[C@@H]6[C@@H]([C@@]5([C@@]([C@H]([C@@H]3C(CC[C@@H]4O)(C)C)O)(O1)O)C(=O)[C@H]6C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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