input word = C00042814

Metabolite InformationStructural formula
Name Pacificin B
(-)-Pacificin B
Formula C20H34O3
Mw 322.25079495
CAS RN 847450-72-0
C_ID C00042814 ,
InChIKey SNGHBZRZTFPMAP-DNGHGTMUNA-N
InChICode InChI=1S/C20H34O3/c1-17(2,21)8-6-9-18(3)11-12-20(5)16(23-20)7-10-19(4,22)15-13-14(15)18/h6,8,14-16,21-22H,7,9-13H2,1-5H3/b8-6+/t14-,15-,16-,18-,19-,20-/m0/s1
SMILES C1C[C@H]2[C@](CC[C@@]([C@@H]3[C@@H]([C@@]1(C)O)C3)(C/C=C/C(C)(C)O)C)(O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea pacifica Ref.
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OrganismNephthea pacifica
ReferenceEl-Gamal,J.Nat.Prod.,68,(2005),74