input word = C00038692

Metabolite InformationStructural formula
Name Calyculin H
(-)-Calyculin H
Formula C51H83N4O15P
Mw 1022.5592545
CAS RN 135212-40-7
C_ID C00038692 ,
InChIKey MDHVPFKPZGGNLB-IPQBLFGZNA-N
InChICode InChI=1S/C51H83N4O15P/c1-29(21-22-52)17-15-18-30(2)31(3)23-32(4)43(58)36(8)39(56)25-42(66-14)46-47(70-71(62,63)64)50(9,10)51(69-46)26-40(57)35(7)41(68-51)20-16-19-37-27-67-49(54-37)33(5)24-34(6)53-48(61)45(60)44(59)38(28-65-13)55(11)12/h15-19,21,23,27,32-36,38-47,56-60H,20,24-26,28H2,1-14H3,(H,53,61)(H2,62,63,64)/b17-15+,19-16+,29-21+,30-18-,31-23+/t32-,33+,34-,35+,36+,38+,39+,40-,41+,42+,43-,44+,45+,46-,47+,51-/m1/s1
SMILES [C@@H]1([C@H]([C@@H](C[C@]2(O1)C([C@H]([C@H](O2)[C@H](C[C@@H]([C@@H]([C@@H]([C@@H](/C=C(/C(=C\C=C\C(=C\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Discodermia calyx Ref.
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