input word = C00014995

Metabolite InformationStructural formula
Name SMTP 8D
Formula C52H70N2O10
Mw 882.50304647
CAS RN 714231-30-8
C_ID C00014995 ,
InChIKey SJMBRLPDWBJVRZ-YQTBAPMMNA-N
InChICode InChI=1S/C52H70N2O10/c1-31(2)15-11-17-33(5)19-13-22-51(7)44(57)27-37-42(55)25-35-39(46(37)63-51)29-53(48(35)59)24-10-9-21-41(50(61)62)54-30-40-36(49(54)60)26-43(56)38-28-45(58)52(8,64-47(38)40)23-14-20-34(6)18-12-16-32(3)4/h15-16,19-20,25-26,41,44-45,55-58H,9-14,17-18,21-24,27-30H2,1-8H3,(H,61,62)/b33-19+,34-20+/t41-,44+,45+,51+,52+/m1/s1
SMILES CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CN(CCCC[C@H](C(=O)O)N2Cc4c(cc(O)c5c4O[C@@](C)(CC/C=C(C)CCC=C(C)C)[C@@H](O)C5)C2=O)C3=O)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Stachybotrys microspora IFO 30018 Ref.
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OrganismStachybotrys microspora IFO 30018
ReferenceHu,J.Antibiotics 56,(2003),832