input word = C00017733

Metabolite InformationStructural formula
Name Abierixin
Formula C40H68O11
Mw 724.47616301
CAS RN 100634-16-0
C_ID C00017733 ,
InChIKey JQESXHYTUWEFCM-UHFFFAOYNA-N
InChICode InChI=1S/C40H68O11/c1-22(15-25(4)36(43)44)11-12-29(42)18-30-19-31(46-10)28(7)40(48-30)27(6)20-38(9,51-40)33-13-14-37(8,49-33)35-24(3)17-32(47-35)34-23(2)16-26(5)39(45,21-41)50-34/h15,22-24,26-35,41-42,45H,11-14,16-21H2,1-10H3,(H,43,44)/b25-15-/t22-,23+,24-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35-,37-,38+,39-,40+/m0/s1
SMILES C([C@@H](O)CC[C@H](C)/C=C(/C)\C(=O)O)[C@@H]1O[C@]2([C@H]([C@@H](C1)OC)C)[C@H](C[C@@](O2)([C@@H]1CC[C@](O1)([C@@H]1[C@H](C[C@@H](O1)[C@@H]1[C@@H](C[C@@H]([C@@](O1)(CO)O)C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces albus NRRL B-1865 Ref.
zoom in