input word = C00047014

Metabolite InformationStructural formula
Name Calafianin
(+)-Calafianin
Formula C22H20Br2N4O8
Mw 625.96478945
CAS RN 267876-68-6
C_ID C00047014 ,
InChIKey OPMAEHVWCSXSKG-MJOVMJLFNA-N
InChICode InChI=1S/C22H20Br2N4O8/c23-9-5-21(17-15(33-17)13(9)29)7-11(27-35-21)19(31)25-3-1-2-4-26-20(32)12-8-22(36-28-12)6-10(24)14(30)16-18(22)34-16/h5-6,15-18H,1-4,7-8H2,(H,25,31)(H,26,32)/t15-,16-,17-,18-,21-,22+/m0/s1
SMILES C1(=NO[C@]2(C1)C=C(C(=O)[C@H]1[C@@H]2O1)Br)C(=O)NCCCCNC(=O)C1=NO[C@]2(C1)[C@@H]1[C@H](C(=O)C(=C2)Br)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina gerardogreeni Ref.
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OrganismAplysina gerardogreeni
ReferenceEncarnacion,J.Nat.Prod.,63,(2000),874