input word = C00016687

Metabolite InformationStructural formula
Name Caloporoside
Formula C40H64O17
Mw 816.41435062
CAS RN 160471-36-3
C_ID C00016687 ,
InChIKey SANKFKFXZIBMQR-UGUBEHOFNA-N
InChICode InChI=1S/C40H64O17/c1-24(18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-27-20-17-21-28(45)31(27)38(50)51)53-39(52)36(54-25(2)43)34(48)32(46)29(22-41)56-40-37(55-26(3)44)35(49)33(47)30(23-42)57-40/h17,20-21,24,29-30,32-37,40-42,45-49H,4-16,18-19,22-23H2,1-3H3,(H,50,51)/t24-,29+,30+,32+,33+,34+,35-,36+,37+,40+/m0/s1
SMILES O([C@@H]([C@H]([C@H]([C@H](C(=O)O[C@H](CCCCCCCCCCCCCCCc1c(c(O)ccc1)C(=O)O)C)OC(=O)C)O)O)CO)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Caloporus dichrous Ref.
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