input word = C00016833

Metabolite InformationStructural formula
Name Sch 47554
Formula C37H38O13
Mw 690.2312413
CAS RN 150050-20-7
C_ID C00016833 ,
InChIKey FPIKGAFXXMSOSP-UHFFFAOYNA-N
InChICode InChI=1S/C37H38O13/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/h5-8,11-14,17-19,25-26,28-29,41,44-45H,9-10,15-16H2,1-4H3/t17-,18-,19-,25+,26-,28+,29-,35-,36+,37+/m1/s1
SMILES c1c(c(c2c(c1)C(=O)C1=C(C2=O)C=C[C@]2([C@@]1(C(=O)C[C@](C2)(O[C@@H]1C=CC(=O)[C@H](O1)C)C)O)O)O)[C@@H]1O[C@@H]([C@H](CC1)O[C@H]1C=CC(=O)[C@H](O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. SCC-2136 (ATCC 55186) Ref.
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