input word = C00039916

Metabolite InformationStructural formula
Name Pacificanone B
(-)-Pacificanone B
Formula C20H34O3
Mw 322.25079495
CAS RN 1016901-17-9
C_ID C00039916 ,
InChIKey JSPPQWVTDRBUIB-ZWWLIKOYNA-N
InChICode InChI=1S/C20H34O3/c1-7-17-12-15(5)20(23,16(6)19(17)22)10-9-13(3)11-14(4)18(21)8-2/h9-11,14-18,21,23H,7-8,12H2,1-6H3/b10-9+,13-11+/t14-,15+,16-,17-,18+,20+/m0/s1
SMILES CC[C@H]1C[C@@H](C)[C@](O)(/C=C/C(C)=C/[C@H](C)[C@H](O)CC)[C@@H](C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Salinispora pacifica Ref.
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