input word = C00014877

Metabolite InformationStructural formula
Name YM 202204
Formula C37H58O9
Mw 646.40808345
CAS RN 333794-35-7
C_ID C00014877 ,
InChIKey YGLKXOYPYOHGNS-UHFFFAOYNA-N
InChICode InChI=1S/C37H58O9/c1-9-21(2)15-24(5)16-22(3)11-10-12-25(6)34(42)26(7)17-23(4)13-14-29(39)27(8)32-19-30(40)33(37(44)46-32)36-35(43)31(41)18-28(20-38)45-36/h10-11,13-14,16-17,19,21,24-29,31,34-36,38-43H,9,12,15,18,20H2,1-8H3/b11-10+,14-13+,22-16-,23-17+/t21-,24+,25+,26-,27-,28-,29+,31-,34-,35+,36-/m1/s1
SMILES C1[C@H]([C@@H]([C@H](O[C@H]1CO)c1c(cc(oc1=O)[C@H](C)[C@@H](O)/C=C/C(=C/[C@H]([C@@H]([C@H](C/C=C/C(=C\[C@H](C[C@H](C)CC)C)/C)C)O)C)/C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma sp. Q60596 Ref.
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OrganismPhoma sp. Q60596
ReferenceNagai,J.Antibiotics 55,(2002),1036