input word = C00043956

Metabolite InformationStructural formula
Name Tamandarin B
(-)-Tamandarin B
Formula C53H83N7O14
Mw 1041.59980041
CAS RN 258339-38-7
C_ID C00043956 ,
InChIKey VFCVQRSICIMDEG-FXVQNZAXNA-N
InChICode InChI=1S/C53H83N7O14/c1-28(2)24-36-50(68)60-23-15-17-38(60)52(70)58(12)40(26-34-18-20-35(72-13)21-19-34)53(71)73-33(10)44(47(65)55-43(30(5)6)41(62)27-42(63)74-45(31(7)8)48(66)54-36)56-46(64)39(25-29(3)4)57(11)51(69)37-16-14-22-59(37)49(67)32(9)61/h18-21,28-33,36-41,43-45,61-62H,14-17,22-27H2,1-13H3,(H,54,66)(H,55,65)(H,56,64)/t32-,33+,36-,37-,38-,39+,40-,41-,43+,44-,45-/m0/s1
SMILES COc1ccc(C[C@H]2C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2C)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum sp. Ref.
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OrganismDidemnum sp.
ReferenceBerlinck,J.Nat.Prod.,67,(2004),510