input word = C00017569

Metabolite InformationStructural formula
Name 02-3D
Formula C55H80O25
Mw 1140.49886811
CAS RN 132243-19-7
C_ID C00017569 ,
InChIKey DPXBORGLESAKSY-UHFFFAOYNA-N
InChICode InChI=1S/C55H80O25/c1-20-32(76-37-16-33(45(61)22(3)70-37)77-36-15-31(58)51(68-10)25(6)73-36)14-29-12-28-13-30(52(69-11)50(66)44(60)21(2)56)53(49(65)42(28)48(64)41(29)43(20)59)80-39-18-34(46(62)24(5)72-39)78-38-17-35(47(63)23(4)71-38)79-40-19-55(9,67)54(26(7)74-40)75-27(8)57/h12,14,21-26,30-31,33-40,44-47,51-54,56,58-64,67H,13,15-19H2,1-11H3/t21-,22-,23-,24-,25-,26-,30+,31-,33-,34-,35-,36+,37-,38-,39-,40+,44-,45-,46+,47+,51+,52+,53-,54-,55-/m1/s1
SMILES [C@H]1([C@H]([C@@H](C[C@H](O1)Oc1c(c(c2c(c1)cc1c(c2O)C(=O)[C@@H]([C@@H](C1)[C@H](OC)C(=O)[C@H](O)[C@H](O)C)O[C@@H]1C[C@H]([C@H]([C@H](O1)C)O)O[C@@H]1C[C@H]([C@H]([C@H](O1)C)O)O[C@H]1C[C@@]([C@@H]([C@H](O1)C)OC(=O)C)(C)O)O)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)OC)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces avellaneus 1999/2/3 Ref.
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