input word = C00017882

Metabolite InformationStructural formula
Name Demethylchromomycin A3
Formula C56H80O26
Mw 1168.49378273
CAS RN 86917-64-8
C_ID C00017882 ,
InChIKey LKAAYCHLHTYRFV-UHFFFAOYNA-N
InChICode InChI=1S/C56H80O26/c1-20-33(78-39-18-36(52(25(6)74-39)76-27(8)58)81-37-15-32(60)46(63)22(3)71-37)14-30-12-29-13-31(53(70-11)51(68)45(62)21(2)57)54(50(67)43(29)49(66)42(30)44(20)61)82-40-17-34(47(64)24(5)73-40)79-38-16-35(48(65)23(4)72-38)80-41-19-56(10,69)55(26(7)75-41)77-28(9)59/h12,14,21-26,31-32,34-41,45-48,52-55,57,60-66,69H,13,15-19H2,1-11H3/t21-,22+,23-,24+,25+,26-,31-,32+,34+,35-,36+,37-,38+,39-,40+,41-,45-,46+,47-,48+,52-,53+,54-,55-,56-/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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis PA-39856 Ref.
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