input word = C00059502

Metabolite InformationStructural formula
Name [1aS-(1aalpha,2beta,3beta,4abeta,5alpha,7aalpha,7balpha)]-3-(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 125537-96-4
C_ID C00059502
InChIKey HGJJFWUMSRANFW-UHFFFAOYSA-N
InChICode InChI=1S/C21H32O7/c1-9-4-12(23)10-5-19(2)11-6-21(9,20(10,19)3)7-13(11)27-18-17(26)16(25)15(24)14(8-22)28-18/h9-11,13-18,22,24-26H,4-8H2,1-3H3
SMILES CC1CC(=O)C2CC3(C)C4CC1(CC4OC1OC(CO)C(O)C(O)C1O)C23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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