input word = C00014921

Metabolite InformationStructural formula
Name Fungicide K 99-5278B
K 99-5278B
Takanawaene B
Formula C32H52O8
Mw 564.36621864
CAS RN 627509-57-3
C_ID C00014921 ,
InChIKey LFAOELCAMFCKNU-VYZGRHQBNA-N
InChICode InChI=1S/C32H52O8/c1-5-31-22(2)15-12-10-8-6-7-9-11-13-18-28(36)23(3)29(37)21-27(35)19-25(33)16-14-17-26(34)20-30(38)24(4)32(39)40-31/h6-13,15,18,22-31,33-38H,5,14,16-17,19-21H2,1-4H3/b7-6+,10-8+,11-9+,15-12+,18-13+/t22-,23-,24+,25+,26+,27+,28+,29+,30-,31-/m1/s1
SMILES C1(=O)O[C@@H]([C@@H](/C=C/C=C/C=C/C=C\C=C/[C@@H]([C@H]([C@H](C[C@H](C[C@H](CCC[C@@H](C[C@H]([C@@H]1C)O)O)O)O)O)C)O)C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. K99-5278 Ref.
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