input word = C00028627

Metabolite InformationStructural formula
Name Mycalolide B
Formula C52H74N4O17
Mw 1026.50489697
CAS RN 122752-21-0
C_ID C00028627 ,
InChIKey ZYDMLFOHENLMIN-MKZBGGJONA-N
InChICode InChI=1S/C52H74N4O17/c1-30(19-20-42(73-52(62)45(66-11)28-63-8)34(5)48(71-35(6)58)31(2)21-22-56(7)29-57)43(65-10)24-44-33(4)41(64-9)17-14-18-46-53-38(26-68-46)50-55-39(27-70-50)51-54-37(25-69-51)49(67-12)32(3)40(60)16-13-15-36(59)23-47(61)72-44/h13-14,16,18,21-22,25-27,29-34,36,41-45,48-49,59H,15,17,19-20,23-24,28H2,1-12H3/b16-13+,18-14-,22-21+/t30-,31+,32-,33+,34-,36-,41-,42+,43-,44-,45+,48+,49-/m0/s1
SMILES COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=CC[C@H](OC)[C@H]1C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--Mycale magellanica Ref.
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OrganismMycale magellanica
ReferenceMatsunaga,J.Nat.Prod.,61,(1998),1164