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 NCCc1c(C(CN)c2c[nH]c3cc(Br)ccc23)[nH]c2cc(C(CN)c3c[nH]c4cc(Br)ccc34)c(O)cc12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum sp. Ref.
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