input word = C00016647

Metabolite InformationStructural formula
Name Ustiloxin B
Formula C26H39N5O12S
Mw 645.23159248
CAS RN 151841-41-7
C_ID C00016647 ,
InChIKey BISPUFPESHDUKH-UHFFFAOYNA-N
InChICode InChI=1S/C26H39N5O12S/c1-5-26(3)21(24(39)29-9-18(34)35)31-22(37)11(2)30-23(38)19(28-4)20(36)13-7-16(43-26)15(33)8-17(13)44(42)10-12(32)6-14(27)25(40)41/h7-8,11-12,14,19-21,28,32-33,36H,5-6,9-10,27H2,1-4H3,(H,29,39)(H,30,38)(H,31,37)(H,34,35)(H,40,41)/t11-,12+,14+,19+,20-,21-,26+,44+/m1/s1
SMILES O1c2c(cc(c([C@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@@]1(CC)C)C(=O)NCC(=O)O)C)NC)O)c2)[S@@](=O)C[C@H](C[C@@H](C(=O)O)N)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiIncertae sedisUstilaginoidea virens Ref.
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OrganismUstilaginoidea virens
ReferenceKoiso,J.Antibiotics 47,(1994),765