input word = C00041418

Metabolite InformationStructural formula
Name Caminoside C
(-)-Caminoside C
Formula C53H92O23
Mw 1096.60293925
CAS RN 876687-45-5
C_ID C00041418 ,
InChIKey WGSORSIHSOZMCR-DPXRXANDNA-N
InChICode InChI=1S/C53H92O23/c1-8-11-12-13-14-17-20-25-33(26-21-18-15-16-19-24-29(4)55)70-52-47(42(63)40(61)34(27-54)71-52)75-53-49(76-51-44(65)46(39(60)31(6)68-51)73-36(57)22-9-2)48(74-37(58)23-10-3)45(69-32(7)56)35(72-53)28-66-50-43(64)41(62)38(59)30(5)67-50/h30-31,33-35,38-54,59-65H,8-28H2,1-7H3/t30-,31+,33-,34-,35-,38+,39+,40-,41+,42+,43+,44+,45-,46-,47-,48+,49-,50-,51+,52-,53+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CCCCCCCCC)CCCCCCCC(=O)C)CO)O)O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)OC(=O)C)OC(=O)CCC)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)OC(=O)CCC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGeodiidaeCaminus sphaeroconia Ref.
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