input word = C00040691

Metabolite InformationStructural formula
Name Xerophilusin VI
(-)-Xerophilusin VI
Formula C22H30O9
Mw 438.18898256
CAS RN 950181-62-1
C_ID C00040691 ,
InChIKey KAJBZGXKODDWJH-WIKYRCTMNA-N
InChICode InChI=1S/C22H30O9/c1-9-11-6-12(24)14-20-8-31-22(29,21(14,16(9)26)17(11)27)18(28)15(20)19(3,5-4-13(20)25)7-30-10(2)23/h11-15,17-18,24-25,27-29H,1,4-8H2,2-3H3/t11-,12-,13+,14-,15+,17+,18-,19-,20+,21?,22+/m0/s1
SMILES [C@@H]1([C@@]23[C@@H]([C@@](CC1)(COC(=O)C)C)[C@@H]([C@@]([C@@]14[C@H]2[C@H](C[C@@H](C(=C)C1=O)[C@H]4O)O)(O)OC3)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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