input word = C00045711

Metabolite InformationStructural formula
Name Cacofuran B
(-)-Cacofuran B
Formula C20H30O3
Mw 318.21949482
CAS RN 383413-08-9
C_ID C00045711 ,
InChIKey HHLVVSUTGBWSQY-QIPAIEBINA-N
InChICode InChI=1S/C20H30O3/c1-18(2)7-4-8-20-13-23-19(3,9-5-16(18)20)17(20)15(21)11-14-6-10-22-12-14/h6,10,12,15-17,21H,4-5,7-9,11,13H2,1-3H3/t15-,16-,17-,19-,20+/m0/s1
SMILES CC1(C)CCC[C@@]23CO[C@@](C)(CC[C@@H]12)C3[C@@H](O)Cc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cacospongia sp. Ref.
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