input word = C00018333

Metabolite InformationStructural formula
Name Sulfurmycin A
Formula C43H53NO16
Mw 839.33643465
CAS RN 78173-90-7
C_ID C00018333 ,
InChIKey BJOHUNBAORBLAE-TWLPVGSHNA-N
InChICode InChI=1S/C43H53NO16/c1-18(45)16-43(53)17-29(34-23(36(43)42(52)54-7)13-24-35(39(34)51)38(50)33-22(37(24)49)9-8-10-27(33)47)58-31-14-25(44(5)6)40(20(3)56-31)60-32-15-28(48)41(21(4)57-32)59-30-12-11-26(46)19(2)55-30/h8-10,13,19-21,25,28-32,36,40-41,47-48,51,53H,11-12,14-17H2,1-7H3/t19-,20-,21+,25+,28+,29+,30-,31+,32-,36+,40-,41-,43-/m1/s1
SMILES c1ccc2c(c1O)C(=O)c1c(C2=O)cc2c(c1O)[C@H](C[C@]([C@@H]2C(=O)OC)(O)CC(=O)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)N(C)C)O[C@H]1O[C@H]([C@H]([C@H](C1)O)O[C@H]1O[C@@H](C(=O)CC1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus OBB-111 Ref.
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OrganismStreptomyces galilaeus OBB-111
ReferenceFujiwara,J. Antibiotics,34,(1981),608