input word = C00050218

Metabolite InformationStructural formula
Name Sch 54445
Formula C30H29ClN2O9
Mw 596.15615825
CAS RN 175448-19-8
C_ID C00050218 ,
InChIKey LGOPVBMUGSRUOT-UHFFFAOYNA-N
InChICode InChI=1S/C30H29ClN2O9/c1-4-10(2)13-7-11-18(30(38)33(13)32)24(35)17-12(23(11)31)8-16-20-21(17)26(37)22-25(36)19-14(34)5-6-15(39-3)27(19)42-29(22)28(20)41-9-40-16/h5-7,10,14-16,19,27,34-35,37H,4,8-9,32H2,1-3H3/t10-,14+,15-,16-,19-,27+/m1/s1
SMILES n1(c(cc2c(c1=O)c(c1c(c2Cl)C[C@@H]2c3c1c(O)c1c(c3OCO2)O[C@@H]2[C@@H](C1=O)[C@H](C=C[C@H]2OC)O)O)[C@H](C)CC)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaActinoplanaceaeActinoplanes sp. Ref.
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OrganismActinoplanes sp.
ReferenceChu,J.Nat.Prod.,60,(1997),525