input word = C00040692

Metabolite InformationStructural formula
Name Xerophilusin VII
(-)-Xerophilusin VII
Formula C22H30O9
Mw 438.18898256
CAS RN 950181-64-3
C_ID C00040692 ,
InChIKey BKTVHCJQIOTFPT-CTWZYZMMNA-N
InChICode InChI=1S/C22H30O9/c1-9-11-4-5-12-20-8-31-22(29,21(12,16(9)26)17(11)27)18(28)15(20)19(3,7-30-10(2)23)13(24)6-14(20)25/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@@]([C@@H](C1)O)(COC(=O)C)C)[C@@H]([C@@]([C@@]14[C@H]2CC[C@@H](C(=C)C1=O)[C@H]4O)(O)OC3)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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