input word = C00058089

Metabolite InformationStructural formula
Name Squamin B
Formula C39H60N8O11S
Mw 848.41022555
CAS RN 332935-43-0
C_ID C00058089
InChIKey JNUDLAUDDIPWGP-ZGBWJFGESA-N
InChICode InChI=1S/C39H60N8O11S/c1-8-21(4)31-39(57)47-16-9-10-28(47)36(54)42-26(15-17-59(7)58)35(53)43-27(18-24-11-13-25(49)14-12-24)34(52)40-19-29(50)44-32(23(6)48)38(56)45-30(20(2)3)37(55)41-22(5)33(51)46-31/h11-14,20-23,26-28,30-32,48-49H,8-10,15-19H2,1-7H3,(H,40,52)(H,41,55)(H,42,54)(H,43,53)(H,44,50)(H,45,56)(H,46,51)/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(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H]2CCCN2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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