input word = C00059501

Metabolite InformationStructural formula
Name [1aS-(1aalpha,2beta,4beta,4abeta,5alpha,7aalpha,7balpha)]-4-(beta-D-Glucopyranosyloxy)octahydro-1a,5,7b-trimethyl-7H-2,4a-methano-1H-cyclobuta[de]naphthalen-7-one
Formula C21H32O7
Mw 396.21480338
CAS RN 125537-95-3
C_ID C00059501
InChIKey UVGOBUVELPUVBE-UHFFFAOYSA-N
InChICode InChI=1S/C21H32O7/c1-9-4-12(23)11-7-19(2)10-5-14(21(9,6-10)20(11,19)3)28-18-17(26)16(25)15(24)13(8-22)27-18/h9-11,13-18,22,24-26H,4-8H2,1-3H3
SMILES CC1CC(=O)C2CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C1(C4)C23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
zoom in