input word = C00043319

Metabolite InformationStructural formula
Name Boneratamide B
Formula C23H36N2O4
Mw 404.26750765
CAS RN 786699-00-1
C_ID C00043319 ,
InChIKey SBRUKOXXLMJNFD-VUQPTBJINA-N
InChICode InChI=1S/C23H36N2O4/c1-13(2)17-7-6-15(4)23(11-10-14(3)12-23)20(17)24-21(27)16(5)25-18(22(28)29)8-9-19(25)26/h12-13,15-18,20H,6-11H2,1-5H3,(H,24,27)(H,28,29)/t15-,16-,17+,18+,20-,23-/m1/s1
SMILES C1[C@H]([C@@]2([C@@H]([C@@H](C1)C(C)C)NC(=O)[C@H](N1C(=O)CC[C@H]1C(=O)O)C)CCC(=C2)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaDemospongiaeAxinyssa aplysinoides Ref.
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OrganismAxinyssa aplysinoides
ReferenceWilliams,J.Nat.Prod.,67,(2004),1752