input word = C00039021

Metabolite InformationStructural formula
Name Didemnaketal A
Formula C44H72O14
Mw 824.49220701
CAS RN 135257-49-7
C_ID C00039021 ,
InChIKey VVAXUMVDKGKHAX-OGLMXYFKNA-N
InChICode InChI=1S/C44H72O14/c1-14-26(6)42(50)55-35(40(53-32(12)46)30(10)33(54-37(47)16-3)18-17-28(8)41(49)52-13)21-29(9)39(56-43(51)27(7)15-2)36-20-25(5)23-44(58-36)22-24(4)19-34(57-44)38(48)31(11)45/h17,24-27,29-30,33-36,38-40,48H,14-16,18-23H2,1-13H3/b28-17+/t24-,25+,26+,27+,29+,30-,33-,34+,35+,36-,38+,39+,40+,44+/m1/s1
SMILES C1[C@@H](O[C@@]2(C[C@H]1C)O[C@@H](C[C@H](C2)C)[C@@H](O)C(=O)C)[C@@H](OC(=O)[C@@H](C)CC)[C@@H](C)C[C@H](OC(=O)[C@H](CC)C)[C@@H](OC(=O)C)[C@@H]([C@H](OC(=O)CC)C/C=C(\C)/C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum sp. Ref.
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OrganismDidemnum sp.
ReferenceNakao,J.Nat.Prod.,70,(2007),689