input word = C00044945

Metabolite InformationStructural formula
Name Mycaloside F
(-)-Mycaloside F
Formula C52H84O24
Mw 1092.53525361
CAS RN 593280-55-8
C_ID C00044945 ,
InChIKey AUNODXPWBPAMHH-LXMCMGIJNA-N
InChICode InChI=1S/C52H84O24/c1-21(2)7-6-8-23(16-53)27-15-28(57)34-24-9-10-26-35(59)30(12-14-51(26,4)25(24)11-13-52(27,34)5)70-50-43(67)46(45(33(73-50)20-68-22(3)56)75-49-41(65)39(63)37(61)32(18-55)72-49)76-47-42(66)44(29(58)19-69-47)74-48-40(64)38(62)36(60)31(17-54)71-48/h10,21,23-25,27,29-50,53-55,58-67H,6-9,11-20H2,1-5H3/t23-,24+,25-,27+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5C(=O)C[C@H]([C@H](CO)CCCC(C)C)[C@@]5(C)CC[C@@H]43)[C@H]2O)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mycale laxissima Ref.
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