input word = C00048631

Metabolite InformationStructural formula
Name Bistellettazine B
Formula C44H64N4O2
Mw 680.50292732
CAS RN 1058645-83-2
C_ID C00048631 ,
InChIKey HNBMJPYFNRLMKD-NLWYZXIPNA-N
InChICode InChI=1S/C44H64N4O2/c1-32(12-7-15-35(4)42(49)45-30-37-20-26-47-24-10-17-40(37)47)14-9-22-44(6)23-19-34(3)29-39(44)28-33(2)13-8-16-36(5)43(50)46-31-38-21-27-48-25-11-18-41(38)48/h7-9,12-16,22,28-29,37-41H,10-11,17-21,23-27,30-31H2,1-6H3,(H,45,49)(H,46,50)/b12-7+,13-8+,22-9+,32-14+,33-28+,35-15+,36-16+/t37-,38-,39+,40-,41-,44+/m1/s1
SMILES CC1=C[C@H](/C=C(C)/C=C/C=C(C)C(=O)NCC2CCN3CCCC23)[C@@](C)(/C=C/C=C(C)/C=C/C=C(C)C(=O)NCC2CCN3CCCC23)CC1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAncorinidaeStelletta sp. Ref.
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