input word = C00027761

Metabolite InformationStructural formula
Name 57-Normajusculamide C
Formula C49H78N8O12
Mw 970.57392001
CAS RN 119264-85-6
C_ID C00027761 ,
InChIKey IGWXENYKENRWCO-UHFFFAOYNA-N
InChICode InChI=1S/C49H78N8O12/c1-17-28(7)39-44(63)50-23-36(58)55(14)38(26(3)4)40(60)32(11)57(25-33-19-21-34(68-16)22-20-33)48(67)53-30(9)42(61)49(12,13)47(66)52-31(10)43(62)54-35(18-2)29(8)46(65)69-41(27(5)6)45(64)51-24-37(59)56(39)15/h19-22,26-32,35,38-39,41H,17-18,23-25H2,1-16H3,(H,50,63)(H,51,64)(H,52,66)(H,53,67)(H,54,62)/t28-,29-,30+,31+,32-,35+,38+,39-,41+/m1/s1
SMILES C1(=O)C(C(=O)N[C@H](C(=O)N[C@H]([C@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@@H](C(=O)NCC(=O)N([C@H](C(=O)[C@H](N(C(=O)N[C@H]1C)Cc1ccc(cc1)OC)C)C(C)C)C)[C@H](C)CC)C)C(C)C)C)CC)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--AplysiidaeDolabella auricularia Ref.
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