input word = C00016834

Metabolite InformationStructural formula
Name Sch 47555
Formula C37H42O13
Mw 694.26254143
CAS RN 150050-21-8
C_ID C00016834 ,
InChIKey MCDSLJCOWVFKEL-UHFFFAOYNA-N
InChICode InChI=1S/C37H42O13/c1-17-23(38)7-11-28(47-17)49-25-9-10-26(46-19(25)3)20-5-6-21-30(32(20)41)33(42)22-13-14-36(44)16-35(4,50-29-12-8-24(39)18(2)48-29)15-27(40)37(36,45)31(22)34(21)43/h5-6,8,12-14,17-19,23,25-26,28-29,38,41,44-45H,7,9-11,15-16H2,1-4H3/t17-,18-,19-,23+,25+,26-,28+,29-,35+,36-,37+/m1/s1
SMILES CC1OC(OC2(C)CC(=O)C3(O)C4=C(C=CC3(O)C2)C(=O)c2c(ccc(C3CCC(OC5CCC(O)C(C)O5)C(C)O3)c2O)C4=O)C=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. SCC-2136 (ATCC 55186) Ref.
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