input word = C00017881

Metabolite InformationStructural formula
Name Demethylchromomycin A2
Formula C58H84O26
Mw 1196.52508286
CAS RN 86917-62-6
C_ID C00017881 ,
InChIKey AKTAFHXHDVVUJW-UHFFFAOYNA-N
InChICode InChI=1S/C58H84O26/c1-21(2)57(70)84-56-28(9)77-42(20-58(56,11)71)81-36-17-39(74-25(6)49(36)66)80-35-18-41(75-26(7)48(35)65)83-55-32(54(72-12)52(69)46(63)23(4)59)14-30-13-31-15-34(22(3)45(62)43(31)50(67)44(30)51(55)68)79-40-19-37(53(27(8)76-40)78-29(10)60)82-38-16-33(61)47(64)24(5)73-38/h13,15,21,23-28,32-33,35-42,46-49,53-56,59,61-67,71H,14,16-20H2,1-12H3/t23-,24+,25-,26+,27+,28-,32+,33+,35+,36-,37-,38-,39+,40-,41-,42+,46+,47-,48-,49+,53-,54+,55+,56-,58-/m1/s1
SMILES [C@H]1([C@H](O[C@H](C[C@@]1(C)O)O[C@@H]1C[C@@H](O[C@@H]([C@@H]1O)C)O[C@H]1C[C@H](O[C@H]([C@H]1O)C)O[C@@H]1C(=O)c2c(C[C@H]1[C@@H](C(=O)[C@@H](O)[C@H](O)C)OC)cc1c(c2O)c(c(c(c1)O[C@H]1O[C@H]([C@H]([C@@H](C1)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)OC(=O)C)C)C)O)C)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis PA-39856 Ref.
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