input word = C00054284

Metabolite InformationStructural formula
Name Annosquamosin A
Formula C39H60N8O11S
Mw 848.41022555
CAS RN 192584-48-8
C_ID C00054284
InChIKey SDEJQSNUZMBZBP-ZGBWJFGESA-N
InChICode InChI=1S/C39H60N8O11S/c1-8-21(4)31-37(55)44-30(20(2)3)36(54)40-19-29(50)42-27(18-24-11-13-25(49)14-12-24)39(57)47-16-9-10-28(47)35(53)43-26(15-17-59(7)58)34(52)46-32(23(6)48)38(56)41-22(5)33(51)45-31/h11-14,20-23,26-28,30-32,48-49H,8-10,15-19H2,1-7H3,(H,40,54)(H,41,56)(H,42,50)(H,43,53)(H,44,55)(H,45,51)(H,46,52)/t21-,22-,23+,26-,27-,28-,30-,31-,32-,59?/m0/s1
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C(C)C)NC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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