input word = C00016646

Metabolite InformationStructural formula
Name Ustiloxin A
Formula C28H43N5O12S
Mw 673.26289261
CAS RN 143557-93-1
C_ID C00016646 ,
InChIKey QRLBQXQEGMBXFM-VXDBSICTNA-N
InChICode InChI=1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)/t13-,15-,20-,21-,22+,23+,28+,46+/m0/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(C)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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