input word = C00030870

Metabolite InformationStructural formula
Name Oblonganoside C
(+)-Oblonganoside C
Formula C41H64O13
Mw 764.43469213
CAS RN 943021-90-7
C_ID C00030870 ,
InChIKey SPUDUDKXAYSWJF-JPPDNZHENA-N
InChICode InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-27,29-35,42-49H,8-19H2,1-6H3/t20-,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34+,35+,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)C1=C([C@@H](CC[C@@]1(CC2)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)C)C)(CO)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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