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 [C@@H]1([C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1C(=O)C[C@]2([C@H]([C@@]1(CO)C)[C@@H](C[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)C)C)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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