input word = C00030873

Metabolite InformationStructural formula
Name Oblonganoside F
(+)-Oblonganoside F
Formula C41H64O13
Mw 764.43469213
CAS RN 943021-93-0
C_ID C00030873 ,
InChIKey KZGZUWRLLUWUNP-IKLYKGJCNA-N
InChICode InChI=1S/C41H64O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,22-34,42-48,50H,1,9-19H2,2-7H3/t22-,23-,24+,25-,26+,27+,28+,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(=C)[C@@]1(C)O)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex oblonga Ref.
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