input word = C00028340

Metabolite InformationStructural formula
Name Hemibastadinol 3
Formula C17H16Br3NO4
Mw 534.86294671
CAS RN 182806-12-8
C_ID C00028340 ,
InChIKey KTCXMUWGHHIRCQ-GGYSOQFKNA-N
InChICode InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)8-15(23)17(25)21-4-3-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)/t15-/m0/s1
SMILES c1(c(c(cc(c1)CCNC(=O)[C@H](Cc1ccc(c(c1)Br)O)O)Br)O)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Ianthella basta Ref.
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OrganismIanthella basta
ReferencePettit,J.Nat.Prod.,59,(1996),927