input word = C00043955

Metabolite InformationStructural formula
Name Tamandarin A
(-)-Tamandarin A
Formula C54H85N7O14
Mw 1055.61545048
CAS RN 250211-78-0
C_ID C00043955 ,
InChIKey OSGNLULODCTKKR-ZYYAANNNNA-N
InChICode InChI=1S/C54H85N7O14/c1-14-32(8)44-42(63)28-43(64)75-46(31(6)7)49(67)55-37(25-29(2)3)51(69)61-24-16-18-39(61)53(71)59(12)41(27-35-19-21-36(73-13)22-20-35)54(72)74-34(10)45(48(66)56-44)57-47(65)40(26-30(4)5)58(11)52(70)38-17-15-23-60(38)50(68)33(9)62/h19-22,29-34,37-42,44-46,62-63H,14-18,23-28H2,1-13H3,(H,55,67)(H,56,66)(H,57,65)/t32-,33-,34+,37-,38-,39-,40+,41-,42-,44+,45-,46-/m0/s1
SMILES C1(=O)[C@H]([C@H](OC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](OC(=O)C[C@@H]([C@H](N1)[C@H](CC)C)O)C(C)C)CC(C)C)CCC2)C)Cc1ccc(cc1)OC)C)NC(=O)[C@H](N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)O)CC(C)C
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