input word = C00001999

Metabolite InformationStructural formula
Name Hymenocardine
Formula C37H50N6O6
Mw 674.37918337
CAS RN 19771-56-3
C_ID C00001999 ,
InChIKey ATQXXRJEZULCTG-PBZXQADKNA-N
InChICode InChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)/t22-,28-,30-,31-,32+/m0/s1
SMILES c12ccc(cc1)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(O2)(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)N(C)C)Cc1c[nH]c2c1cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeHymenocardia acida Ref.
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