input word = C00013020

Metabolite InformationStructural formula
Name Sphaeranthanolide
[3R-(3alpha,3abeta,5aalpha,8beta,9bbeta)]-8-(beta-D-Glucopyranosyloxy)-3a,4,5,5a,6,7,8,9b-Octahydro-3a-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Formula C21H32O9
Mw 428.20463262
CAS RN 129885-23-0
C_ID C00013020 ,
InChIKey XJIHHYMEBKDQFZ-QXDHYKERNA-N
InChICode InChI=1S/C21H32O9/c1-9-11(28-19-16(25)15(24)14(23)12(8-22)29-19)4-5-20(3)6-7-21(27)10(2)18(26)30-17(21)13(9)20/h10-12,14-17,19,22-25,27H,4-8H2,1-3H3/t10-,11+,12-,14-,15+,16+,17+,19-,20-,21-/m1/s1
SMILES CC1=C2C3OC(=O)C(C)C3(O)CCC2(C)CCC1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus indicus Ref.
zoom in