input word = C00028294

Metabolite InformationStructural formula
Name Geometricin A
Formula C39H63N2O12P
Mw 782.41186198
CAS RN 443769-46-8
C_ID C00028294 ,
InChIKey GNMWTNFLWQSTKW-FXLYYCGXNA-N
InChICode InChI=1S/C39H63N2O12P/c1-22(17-34(40)44)13-11-14-23(2)24(3)18-25(4)35(45)27(6)30(42)19-33(49-10)36-37(53-54(46,47)48)38(8,9)39(52-36)20-31(43)26(5)32(51-39)16-12-15-29-21-50-28(7)41-29/h12,14-15,17-18,21,25-27,30-33,35-37,42-43,45H,11,13,16,19-20H2,1-10H3,(H2,40,44)(H2,46,47,48)/b15-12+,22-17-,23-14+,24-18+/t25-,26-,27+,30-,31-,32-,33-,35+,36+,37-,39+/m0/s1
SMILES [C@@H]1([C@H]([C@H](C[C@]2(O1)C([C@H]([C@H](O2)[C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](/C=C(/C(=C/CC/C(=C\C(=O)N)/C)/C)\C)C)OC)OP(=O)(O)O)(C)C)O)C)C/C=C/c1nc(oc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Luffariella geometrica Ref.
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OrganismLuffariella geometrica
ReferenceKehraus,J.Nat.Prod.,65,(2002),1056