input word = C00016209

Metabolite InformationStructural formula
Name BE 40644
Formula C22H30O4
Mw 358.21440945
CAS RN 172923-88-5
C_ID C00016209 ,
InChIKey JJCFWPNMYFMHEH-XFBREHNRNA-N
InChICode InChI=1S/C22H30O4/c1-20(2)7-5-8-21(3)16(20)6-9-22(4)17(21)11-14-15(24)10-13(12-23)18(25)19(14)26-22/h10,16-17,23H,5-9,11-12H2,1-4H3/t16-,17+,21-,22-/m1/s1
SMILES C1=C(C(=O)C2=C(C1=O)C[C@@H]1[C@](O2)(CC[C@H]2[C@]1(CCCC2(C)C)C)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaActinoplanaceaeActinoplanes sp. A40644 Ref.
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