input word = C00028830

Metabolite InformationStructural formula
Name Phomasetin
Formula C25H35NO4
Mw 413.25660861
CAS RN 207791-30-8
C_ID C00028830 ,
InChIKey GQYNYOOJEMDNNZ-CDZKZPBZNA-N
InChICode InChI=1S/C25H35NO4/c1-6-7-8-9-18-16(3)13-17-12-15(2)10-11-19(17)25(18,4)23(29)21-22(28)20(14-27)26(5)24(21)30/h6-9,13,15,17-20,27,29H,10-12,14H2,1-5H3/b7-6+,9-8+,23-21+/t15-,17-,18-,19-,20+,25+/m0/s1
SMILES [C@@H]1(C(=C[C@H]2[C@@H]([C@@]1(/C(=C\1/C(=O)[C@H](N(C1=O)C)CO)/O)C)CC[C@@H](C2)C)C)/C=C/C=C/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phomu sp. Ref.
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OrganismPhomu sp.
ReferenceSingh,Tetrahedron Lett.,39,(1998),2243