input word = C00018773

Metabolite InformationStructural formula
Name Kujimycin A
Formula C40H70O15
Mw 790.47147157
CAS RN 33955-27-0
C_ID C00018773 ,
InChIKey XITHDKRNUSLORY-UHFFFAOYNA-N
InChICode InChI=1S/C40H70O15/c1-18-16-39(11,47)35(44)23(6)33(52-27(10)42)22(5)32(20(3)25(8)41)54-37(46)24(7)34(53-29-17-40(12,49-14)36(45)26(9)51-29)21(4)31(18)55-38-30(43)28(48-13)15-19(2)50-38/h18-26,28-34,36,38,41,43,45,47H,15-17H2,1-14H3/t18-,19+,20-,21+,22+,23-,24-,25+,26-,28+,29+,30-,31-,32+,33-,34+,36-,38+,39+,40+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@@H](C(=O)[C@](C[C@@H]([C@@H]([C@H]([C@H]([C@@H](C(=O)O1)C)O[C@@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)C)O[C@H]1O[C@@H](C[C@H]([C@@H]1O)OC)C)C)(C)O)C)OC(=O)C)C)[C@@H](C)[C@H](O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. TPR-885 Ref.
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