input word = C00044946

Metabolite InformationStructural formula
Name Mycaloside G
(-)-Mycaloside G
Formula C50H82O23
Mw 1050.52468893
CAS RN 593280-56-9
C_ID C00044946 ,
InChIKey CCZYRSVMFXJUCB-OHDVABCPNA-N
InChICode InChI=1S/C50H82O23/c1-20(2)6-5-7-21(15-51)25-14-26(55)32-22-8-9-24-33(57)28(11-13-49(24,3)23(22)10-12-50(25,32)4)67-48-41(65)44(43(31(18-54)70-48)72-47-39(63)37(61)35(59)30(17-53)69-47)73-45-40(64)42(27(56)19-66-45)71-46-38(62)36(60)34(58)29(16-52)68-46/h9,20-23,25,27-48,51-54,56-65H,5-8,10-19H2,1-4H3/t21-,22+,23-,25+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42+,43+,44+,45-,46-,47-,48+,49+,50+/m0/s1
SMILES O1C[C@H]([C@H]([C@@H]([C@@H]1O[C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@H](O[C@H]([C@@H]1O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C(=O)C[C@@H]2[C@H](CO)CCCC(C)C)C)[C@H]1O)C)CO)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mycale laxissima Ref.
zoom in



OrganismMycale laxissima
ReferenceAntonov,J.Nat.Prod.,66,(2003),1082