input word = C00017065

Metabolite InformationStructural formula
Name L 687781
Formula C47H66O17
Mw 902.43000068
CAS RN 130304-58-4
C_ID C00017065 ,
InChIKey YKYGJTLYLZXNDB-UHFFFAOYNA-N
InChICode InChI=1S/C47H66O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12,14-16,18,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,13,17,19-20,25-27H2,1-4H3/b8-7+,12-9+,14-10+,21-15+,22-16+,29-18+/t28-,31-,33-,35+,36+,40+,41-,42+,43+,44-,45-,46-,47+/m1/s1
SMILES CC[C@@H](O)CC/C=C/C=C/C(=O)OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1[C@@H](O[C@]2([C@@H]([C@@H]1OC(=O)/C=C/C=C/C[C@@H](O)/C(=C/C=C/CC[C@H](C)CC)/C)O)c1c(CO2)cc(cc1O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dictyochaeta simplex ATCC 20960 Ref.
zoom in