input word = C00046810

Metabolite InformationStructural formula
Name Madlongiside D
(-)-Madlongiside D
Formula C41H66O14
Mw 782.44525682
CAS RN 58019-21-9
C_ID C00046810 ,
InChIKey XOBTZVANUMVPCS-BYZZLKFONA-N
InChICode InChI=1S/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,37+,38-,39+,40+,41-/m0/s1
SMILES O[C@H]1[C@@H](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[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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