input word = C00048019

Metabolite InformationStructural formula
Name Niga-ichigoside F1
(+)-Niga-ichigoside F1
Formula C36H58O11
Mw 666.3979127
CAS RN 871018-31-4
C_ID C00048019 ,
InChIKey WKKBYJLXSKPKSC-NRDMFWKRNA-N
InChICode InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20+,21+,22+,23+,24+,25-,26+,27+,28-,29-,31+,32-,33+,34+,35+,36-/m0/s1
SMILES [C@@]1([C@@H]2[C@](CC[C@@H]1C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@]2(C[C@H]([C@@H]([C@@]1(C)CO)O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDesfontainiaceaeDesfontainia spinosa Ref.
PlantaeLabiataePrunella vulgaris Ref.
PlantaeRosaceaeGeum japonicum Ref.
PlantaeRosaceaeRubus alceaefolius Ref.
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
PlantaeRosaceaeRubus parviforlius Ref.
PlantaeRosaceaeRubus taiwanicolus Ref.
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OrganismPrunella vulgaris
ReferenceWang, et al., CCMM, 19, (1994), 486.

Gan, et al., CCMM, 23, (1998), 361.

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11.

Liu, et al., Shenyang Yaoke Daxue Xuebao, 20, (2003), 55