input word = C00039257

Metabolite InformationStructural formula
Name Gelliusine B
Formula C30H30Br2N6O
Mw 648.08478542
CAS RN 159992-42-4
C_ID C00039257 ,
InChIKey CYAJKOUHPRYFRD-UHFFFAOYNA-N
InChICode InChI=1S/C30H30Br2N6O/c31-15-1-3-17-24(13-36-26(17)7-15)22(11-34)21-9-28-20(10-29(21)39)19(5-6-33)30(38-28)23(12-35)25-14-37-27-8-16(32)2-4-18(25)27/h1-4,7-10,13-14,22-23,36-39H,5-6,11-12,33-35H2/t22-,23+/m1/s1
SMILES c1(c(cc2c(c1)[nH]c(c2CCN)[C@H](c1c2c([nH]c1)cc(cc2)Br)CN)O)[C@@H](CN)c1c[nH]c2c1ccc(c2)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum sp. Ref.
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