input word = C00044210

Metabolite InformationStructural formula
Name Kaji-ichigoside F1
(+)-Kaji-ichigoside F1
Formula C30H58O10
Mw 578.40299807
CAS RN 95298-47-8
C_ID C00044210 ,
InChIKey MLKQAGPAYHTNQQ-FGEXBGHONA-N
InChICode InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa multiflora Ref.
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
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