input word = C00028339

Metabolite InformationStructural formula
Name Hemibastadinol 2
Formula C17H16Br3NO4
Mw 534.86294671
CAS RN 182806-11-7
C_ID C00028339 ,
InChIKey JCPIPPTTWCBNQY-GGYSOQFKNA-N
InChICode InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)3-4-21-17(25)15(23)8-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)/t15-/m0/s1
SMILES c1c(c(cc(c1)CCNC(=O)[C@H](Cc1cc(c(c(c1)Br)O)Br)O)Br)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Ianthella basta Ref.
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