input word = C00039797

Metabolite InformationStructural formula
Name Moromycin A
(+)-Moromycin A
Formula C43H46O14
Mw 786.28875618
CAS RN 1044869-32-0
C_ID C00039797 ,
InChIKey YXQYFVURWVZIMD-XWGQBRIUNA-N
InChICode InChI=1S/C43H46O14/c1-18-26(44)10-12-33(51-18)55-29-11-13-34(52-20(29)3)57-43(5)16-22-6-7-24-36(35(22)28(46)17-43)39(48)25-9-8-23(38(47)37(25)40(24)49)30-15-31-41(21(4)50-30)56-42-32(54-31)14-27(45)19(2)53-42/h6-10,12,18-21,29-34,41-42,47H,11,13-17H2,1-5H3/t18-,19-,20-,21+,29-,30+,31+,32-,33-,34-,41+,42-,43+/m0/s1
SMILES c12c(C(=O)c3c(C1=O)c1c(cc3)C[C@](CC1=O)(O[C@@H]1O[C@H]([C@H](CC1)O[C@H]1C=CC(=O)[C@@H](O1)C)C)C)c(c(cc2)[C@H]1C[C@@H]2[C@@H]([C@H](O1)C)O[C@H]1[C@@H](O2)CC(=O)[C@@H](O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. KY002 Ref.
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