input word = C00031181

Metabolite InformationStructural formula
Name Rivulotririn B
Formula C48H42O15
Mw 858.25237067
CAS RN 220473-64-3
C_ID C00031181 ,
InChIKey NTWDPJZQXCEWOS-ANDGNWFJNA-N
InChICode InChI=1S/C48H42O15/c1-25(2)32(22-55-43-37-29(12-16-52-37)19-26-7-9-35(50)58-40(26)43)60-46(3,4)33(49)23-56-45-39-31(14-18-54-39)21-28-11-15-48(62-42(28)45)61-34(47(5,6)63-48)24-57-44-38-30(13-17-53-38)20-27-8-10-36(51)59-41(27)44/h7-21,32-34,49H,1,22-24H2,2-6H3/t32-,33-,34-,48+/m1/s1
SMILES c12c(cc3c(c1OC[C@H](C(=C)C)OC(C)(C)[C@@H](COc1c4c(cc5c1O[C@@]1(C=C5)OC([C@H](O1)COc1c5c(cc6c1oc(=O)cc6)cco5)(C)C)cco4)O)occ3)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeHeracleum candicans WALL. Ref.
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