input word = C00046808

Metabolite InformationStructural formula
Name Madlongiside B
(+)-Madlongiside B
Formula C41H64O15
Mw 796.42452138
CAS RN 312959-41-4
C_ID C00046808 ,
InChIKey RRAYNNCQLLWTEX-HFRYGRANNA-N
InChICode InChI=1S/C41H64O15/c1-36(2)9-11-41(35(52)56-33-29(50)26(47)23(46)17-53-33)12-10-39(5)19(20(41)13-36)7-8-25-37(3)14-22(45)32(38(4,18-43)31(37)21(44)15-40(25,39)6)55-34-30(51)28(49)27(48)24(16-42)54-34/h7,20-21,23-34,42-44,46-51H,8-18H2,1-6H3/t20-,21+,23-,24+,25+,26-,27+,28-,29-,30+,31+,32-,33+,34+,37+,38-,39+,40+,41-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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