input word = C00060776

Metabolite InformationStructural formula
Name (3beta,5alpha,22R,23R)-3-(beta-D-Glucopyranosyloxy)-22,23-dihydroxy-ergostan-6-one
Formula C34H58O9
Mw 610.40808345
CAS RN 211189-89-8
C_ID C00060776
InChIKey QOCPKLPJIQFJOU-JSIBEGGDSA-N
InChICode InChI=1S/C34H58O9/c1-16(2)17(3)27(37)28(38)18(4)21-7-8-22-20-14-25(36)24-13-19(9-11-34(24,6)23(20)10-12-33(21,22)5)42-32-31(41)30(40)29(39)26(15-35)43-32/h16-24,26-32,35,37-41H,7-15H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24-,26-,27-,28-,29-,30+,31-,32-,33-,34-/m1/s1
SMILES CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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