input word = C00030564

Metabolite InformationStructural formula
Name Jorunnamycin B
Formula C26H27N3O8
Mw 509.17981486
CAS RN 936139-38-7
C_ID C00030564 ,
InChIKey PDTGXNNCWQXMJK-OQHRUFORNA-N
InChICode InChI=1S/C26H29N3O8/c1-9-20(31)11-6-12-18-16-17(21(32)10(2)26(37-5)24(16)35)22(33)19(28(18)3)13(7-27)29(12)14(8-30)15(11)23(34)25(9)36-4/h12-14,18-19,21,24,30,32,35H,6,8H2,1-5H3/t12-,13-,14-,18-,19+,21-,24-/m0/s1
SMILES COC1=C(C)C(=O)C2=C(C1=O)[C@H](CO)N1[C@@H](C#N)[C@@H]3C(=O)C4=C(C(O)C(OC)=C(C)C4O)[C@H]([C@@H]1C2)N3C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaDorididaeJorunna funebris Ref.
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