input word = C00063497

Metabolite InformationStructural formula
Name Niga-ichigoside F2
Formula C36H58O11
Mw 666.3979127
CAS RN 95262-49-0
C_ID C00063497
InChIKey WKKBYJLXSKPKSC-ZHWGAMKVSA-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+/m1/s1
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa multiflora Ref.
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