input word = C00045599

Metabolite InformationStructural formula
Name 9-Deoxyxenialactol C
Formula C20H30O3
Mw 318.21949482
CAS RN 479067-63-5
C_ID C00045599 ,
InChIKey GVOYGZRFVYIDGT-KCMIZJBCNA-N
InChICode InChI=1S/C20H30O3/c1-14-7-5-8-15(2)18-17(11-10-14)16(13-23-19(18)21)9-6-12-20(3,4)22/h6-7,9,12,17-19,21-22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7-,16-9-/t17-,18+,19+/m1/s1
SMILES C1[C@@H]2/C(=C\C=C\C(C)(O)C)/CO[C@@H]([C@H]2C(=C)CC/C=C(\C1)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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OrganismXenia umbellata
ReferenceDuh,J.Nat.Prod.,65,(2002),1882