input word = C00045455

Metabolite InformationStructural formula
Name Xanthanthusin K
(+)-Xanthanthusin K
Formula C22H24O6
Mw 384.1572885
CAS RN 436142-44-8
C_ID C00045455 ,
InChIKey ABTOGHSSQRRREB-OXPLLCJUNA-N
InChICode InChI=1S/C22H24O6/c1-10-9-22(10)17(26)14-16(25)15(24)13-12(7-6-8-20(13,3)4)21(14,5)18(27)19(22)28-11(2)23/h6-7,10,19,25H,8-9H2,1-5H3/t10-,19-,21-,22+/m0/s1
SMILES C1=CC2=C(C(C1)(C)C)C(=O)C(=C1[C@]2(C(=O)[C@@H]([C@@]2(C1=O)[C@H](C2)C)OC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeColeus xanthanthus Ref.
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OrganismColeus xanthanthus
ReferenceMei,J.Nat.Prod.,65,(2002),634