input word = C00048630

Metabolite InformationStructural formula
Name Bistellettazine A
Formula C41H60N4O2
Mw 640.47162719
CAS RN 1058645-82-1
C_ID C00048630 ,
InChIKey MGSPLLAFQGMMFJ-AFCHPKOXNA-N
InChICode InChI=1S/C41H60N4O2/c1-30(15-16-39(46)42-28-34-18-24-44-22-8-13-37(34)44)11-7-20-41(5)21-17-32(3)27-36(41)26-31(2)10-6-12-33(4)40(47)43-29-35-19-25-45-23-9-14-38(35)45/h6-7,10-12,15-16,20,26-27,34-38H,8-9,13-14,17-19,21-25,28-29H2,1-5H3,(H,42,46)(H,43,47)/b10-6+,16-15+,20-7+,30-11+,31-26+,33-12+/t34-,35+,36+,37-,38+,41+/m1/s1
SMILES C1=C(CC[C@@]([C@H]1/C=C(/C=C/C=C(/C(=O)NC[C@@H]1CCN2[C@H]1CCC2)\C)\C)(/C=C/C=C(/C=C/C(=O)NC[C@H]1CCN2[C@@H]1CCC2)\C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAncorinidaeStelletta sp. Ref.
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