input word = C00017593

Metabolite InformationStructural formula
Name CP 80219
Formula C47H78O14
Mw 866.5391572
CAS RN 123229-48-1
C_ID C00017593 ,
InChIKey ZICTXPGGEUYMSS-UHFFFAOYNA-N
InChICode InChI=1S/C47H78O14/c1-24(39(50)25(2)20-27(4)43(51)52)19-26(3)40-30(7)34(49)22-45(59-40)18-17-44(11,61-45)37-15-13-28(5)47(58-37)29(6)21-36(57-47)42-31(8)41(32(9)46(53,23-48)60-42)56-38-16-14-35(54-12)33(10)55-38/h19,25-38,40-42,48-49,53H,13-18,20-23H2,1-12H3,(H,51,52)/b24-19+/t25-,26-,27+,28-,29-,30-,31+,32-,33+,34-,35+,36+,37+,38+,40+,41+,42+,44+,45+,46-,47-/m1/s1
SMILES C1C[C@@H]([C@@H](O[C@H]1O[C@H]1[C@@H]([C@H](O[C@]([C@@H]1C)(O)CO)[C@H]1O[C@]2([C@@H](C1)C)[C@@H](CC[C@H](O2)[C@]1(C)CC[C@@]2(O1)O[C@H]([C@@H]([C@@H](C2)O)C)[C@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus Ref.
zoom in